Geometry & MOs

Info

ID:	177957
PubChem CID:	76258405
Reduced:	N5O5C20H21 (1)
Stoich.:	A5B5C20D21 (1)
Weight, g/mol:	474.152124
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	4.95
IP(EA), eV:	-9.13(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-4aH-quinazolin-3-ium-2-yl]sulfanylmethyl]-N,N-dimethylfuran-2-sulfonamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)CNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations