Geometry & MOs

Info

ID:	169634
PubChem CID:	75130180
Reduced:	SO4N7H17C20 (1)
Stoich.:	AB4C7D17E20 (1)
Weight, g/mol:	463.142659
ΔH_f, kcal/mol:	13.72
Dipole, Da:	19.99
IP(EA), eV:	-9.51(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=NN=C2SCC(=O)NCC(=O)NC3=CC4=NC(=O)N=C4C=C3

DOS

IR

Vibrations