Geometry & MOs

Info

ID:	139296
PubChem CID:	52504857
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	436.182064
ΔH_f, kcal/mol:	-88.25
Dipole, Da:	5.48
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-N-[(2S)-butan-2-yl]-2-methyl-1-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC(=CC=C1)CN2CCCCCC2)NC(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations