Geometry & MOs

Info

ID:	56104
PubChem CID:	17404411
Reduced:	OSN3H17C18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	28.65
Dipole, Da:	2.28
IP(EA), eV:	-8.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylcarbamoyl)-2-[3-(6-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)C

DOS

IR

Vibrations