Geometry & MOs

Info

ID:	77716
PubChem CID:	49658715
Reduced:	SO2N5H19C25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	486.136176
ΔH_f, kcal/mol:	65.76
Dipole, Da:	5.76
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[1-[3-(phenylcarbamoyl)phenyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N3C=CN=C3SCC(=O)NC4=CC=CC=C4C#N

DOS

IR

Vibrations