Geometry & MOs

Info

ID:	44438
PubChem CID:	10503587
Reduced:	N5O8C19H21 (1)
Stoich.:	A5B8C19D21 (1)
Weight, g/mol:	447.181075
ΔH_f, kcal/mol:	-152.1
Dipole, Da:	9.15
IP(EA), eV:	-9.39(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxycarbonyl-4-phenylbutyl)-[1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N)NC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N[C@H](CC2=CC=CC=C2OC)C(=O)O

DOS

IR

Vibrations