Geometry & MOs

Info

ID:	35041
PubChem CID:	7979225
Reduced:	SN3O5C19H23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-198.57
Dipole, Da:	5.67
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(4-methylbenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)[C@H]1CS[C@@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations