Geometry & MOs

Info

ID:	325509
PubChem CID:	126683700
Reduced:	N2O4C33H34 (1)
Stoich.:	A2B4C33D34 (1)
Weight, g/mol:	506.173625
ΔH_f, kcal/mol:	-107.37
Dipole, Da:	7.56
IP(EA), eV:	-8.9(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[6-methoxy-2-(2-methylimidazo[1,2-b][1,2,4]triazin-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]-4-methylpiperidin-3-ol

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=C(C=C(C=C1)[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C(=O)NC(C)C(=O)O

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=C(C=C(C=C1)[C@@H]2C[C@@H](OC3=CC=CC=C23)CN[C@H](C)C4=CC=CC5=CC=CC=C54)C(=O)NC(C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):