Geometry & MOs

Info

ID:	195338
PubChem CID:	78675290
Reduced:	ClN3O5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-203.11
Dipole, Da:	6.92
IP(EA), eV:	-9.6(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C2CCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations