Geometry & MOs

Info

ID:	312671
PubChem CID:	126607258
Reduced:	ClNPO4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	461.152273
ΔH_f, kcal/mol:	-219.49
Dipole, Da:	3.55
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethyl (2S)-2-[[[3-[(1Z)-buta-1,3-dienyl]-2-methylphenoxy]-chlorophosphoryl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CNP(=O)(OC1=CC=CC2=CC=CC=C21)Cl

DOS

IR

Vibrations