Geometry & MOs

Info

ID:	169633
PubChem CID:	75129996
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	451.106273
ΔH_f, kcal/mol:	-43.07
Dipole, Da:	6.24
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-N-(2-oxobenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)N)NC(=O)C=CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations