Geometry & MOs

Info

ID:	195726
PubChem CID:	78728608
Reduced:	N2O2C11H14 (2)
Stoich.:	A2B2C11D14 (2)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	-122.67
Dipole, Da:	12.23
IP(EA), eV:	-9.01(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

DOS

IR

Vibrations