Geometry & MOs

Info

ID:	146555
PubChem CID:	53704594
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	397.127385
ΔH_f, kcal/mol:	-58.27
Dipole, Da:	5.32
IP(EA), eV:	-8.49(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[(3S)-2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl]anilino)acetic acid

Drug info:

PubChemData

Smile

CCN1CC(CN1CC)NC(=O)C2=CC=C(C=C2)OCC=C(C)C

DOS

IR

Vibrations