Geometry & MOs

Info

ID:	174803
PubChem CID:	75817270
Reduced:	SN3O4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	416.242356
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	5.1
IP(EA), eV:	-9.04(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)N=C3C=NC=CC3=O

DOS

IR

Vibrations