Geometry & MOs

Info

ID:	131193
PubChem CID:	51172638
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	374.060425
ΔH_f, kcal/mol:	30.38
Dipole, Da:	6.28
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloropyridin-2-yl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCCCCCC3

DOS

IR

Vibrations