Geometry & MOs

Info

ID:	150979
PubChem CID:	53790676
Reduced:	SCl2N2O4C14H16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	808.403698
ΔH_f, kcal/mol:	-72.51
Dipole, Da:	3.88
IP(EA), eV:	-9.22(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-2-(3,3-dimethoxybutan-2-yl)-3-[3-(5-formyl-4-methoxy-2-methylphenyl)-3-phosphanyloxybutan-2-yl]guanidine;[1-[3-(5-formyl-4-methoxy-2-methylphenyl)-3-hydroxybutan-2-yl]-4,5-dimethylimidazol-2-yl]cyanamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(COOC)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(COOC)NS(=O)(=O)C1=CC2=C(C=C1)C(=CN=C2Cl)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):