Geometry & MOs

Info

ID:	56007
PubChem CID:	17402985
Reduced:	O2S3N4H14C17 (1)
Stoich.:	A2B3C4D14E17 (1)
Weight, g/mol:	397.120861
ΔH_f, kcal/mol:	55.99
Dipole, Da:	2.58
IP(EA), eV:	-8.84(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(methylcarbamoyl)-2-[3-(5-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)SC4=NN=C(O4)C5CC5

DOS

IR

Vibrations