Geometry & MOs

Info

ID:	37273
PubChem CID:	8019056
Reduced:	N2O2C21H29 (1)
Stoich.:	A2B2C21D29 (1)
Weight, g/mol:	375.069592
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774975
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclobutanecarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations