Geometry & MOs

Info

ID:	366234
PubChem CID:	127319691
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-94.58
Dipole, Da:	3.58
IP(EA), eV:	-9.28(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(4-oxoquinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C2C=NN(C2=N1)C(C)C)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations