Geometry & MOs

Info

ID:	339967
PubChem CID:	127261976
Reduced:	P2N3O9C18H29 (1)
Stoich.:	A2B3C9D18E29 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-490.45
Dipole, Da:	13.05
IP(EA), eV:	-9.63(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-(4-methoxynaphthalen-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N(CCCC(O)(P(=O)(O)O)P(=O)(O)O)[C@@H](CC2=CC=CC=C2)C(=O)N

DOS

IR

Vibrations