Geometry & MOs

Info

ID:	328548
PubChem CID:	126724430
Reduced:	NOC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	12.4
Dipole, Da:	1.95
IP(EA), eV:	-8.81(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[[(4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCC/C=N/OC1=CC=CC=C1

DOS

IR

Vibrations