Geometry & MOs

Info

ID:	51236
PubChem CID:	12013876
Reduced:	SCl2H8C9 (1)
Stoich.:	AB2C8D9 (1)
Weight, g/mol:	446.124464
ΔH_f, kcal/mol:	19.92
Dipole, Da:	2.25
IP(EA), eV:	-8.51(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[benzoyl(tert-butyl)amino]-(4-chlorobenzoyl)carbamoyl]oxymethyl acetate

Drug info:

PubChemData

Smile

CS/C=C/C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations