Geometry & MOs

Info

ID:	129157
PubChem CID:	51071766
Reduced:	Cl2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-143.48
Dipole, Da:	3.62
IP(EA), eV:	-9.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-[(4-methoxybenzoyl)amino]propyl]-1-(naphthalene-1-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations