Geometry & MOs

Info

ID:	62736
PubChem CID:	26736468
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	448.145678
ΔH_f, kcal/mol:	28.82
Dipole, Da:	8.37
IP(EA), eV:	-8.66(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-[(3-ethylphenyl)carbamoyl]phenyl]sulfanylacetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C

DOS

IR

Vibrations