Geometry & MOs

Info

ID:	182282
PubChem CID:	76870668
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	482.185146
ΔH_f, kcal/mol:	-59.09
Dipole, Da:	4.4
IP(EA), eV:	-9.56(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]-3-(2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)C=CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CO2

DOS

IR

Vibrations