Geometry & MOs

Info

ID:	133035
PubChem CID:	51465888
Reduced:	OS2N5C29H29 (1)
Stoich.:	AB2C5D29E29 (1)
Weight, g/mol:	514.192629
ΔH_f, kcal/mol:	95.54
Dipole, Da:	5.25
IP(EA), eV:	-8.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S)-7-(3,4-dimethoxyphenyl)-2-methyl-N-(4-methylphenyl)-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

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

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3[C@H]2C4=CC=C(C=C4)SC)SCC5=CC=CC=C5)C)C

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

CC1=CC(=C(C=C1)NC(=O)C2=C(N=C3N=C(NN3[C@H]2C4=CC=C(C=C4)SC)SCC5=CC=CC=C5)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):