Geometry & MOs

Info

ID:	131613
PubChem CID:	51235215
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	390.172562
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	5.11
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(tert-butylcarbamoyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N(C(C)C)C(C)C

DOS

IR

Vibrations