Geometry & MOs

Info

ID:	140862
PubChem CID:	52772422
Reduced:	ClNSO2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-53.92
Dipole, Da:	4.46
IP(EA), eV:	-8.91(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3S)-1-N,3-N-bis(4-acetamidophenyl)cyclohexane-1,3-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)Cl)SC2=CC=CC=C2OC

DOS

IR

Vibrations