Geometry & MOs

Info

ID:	131395
PubChem CID:	51200293
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	382.071348
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	2.53
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-nitrophenyl)-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations