Geometry & MOs

Info

ID:	146369
PubChem CID:	53677357
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	3.18
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC(=C3)C(=NO)N

DOS

IR

Vibrations