Geometry & MOs

Info

ID:	245416
PubChem CID:	99444483
Reduced:	N3O3C28H39 (1)
Stoich.:	A3B3C28D39 (1)
Weight, g/mol:	443.257277
ΔH_f, kcal/mol:	-130.07
Dipole, Da:	5.84
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC[C@@H](C(C)C)N1CCC2=CC=CC=C2C1)N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O

DOS

IR

Vibrations