Geometry & MOs

Info

ID:	120789
PubChem CID:	50744425
Reduced:	O5N6C24H28 (1)
Stoich.:	A5B6C24D28 (1)
Weight, g/mol:	426.12811
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	8.85
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[(8-methyl-2-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N2CCN(C(=O)C2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations