Geometry & MOs

Info

ID:	34952
PubChem CID:	7979127
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	405.09139
ΔH_f, kcal/mol:	-233.64
Dipole, Da:	1.34
IP(EA), eV:	-9.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]sulfanyl-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations