Geometry & MOs

Info

ID:	30524
PubChem CID:	841449
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-14.87
Dipole, Da:	4.4
IP(EA), eV:	-9.32(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S)-6-[(4-carbamoylphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=C(C=C1)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations