Geometry & MOs

Info

ID:	340196
PubChem CID:	127262205
Reduced:	ClNOC12H14 (1)
Stoich.:	ABCD12E14 (1)
Weight, g/mol:	336.204907
ΔH_f, kcal/mol:	-27.04
Dipole, Da:	5.86
IP(EA), eV:	-10.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2-methyl-5-oxo-4-(phenylmethoxymethyl)-5-(propylamino)pentan-2-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)(C)/C(=N/C(=O)Cl)/C1=CC=CC=C1

DOS

IR

Vibrations