Geometry & MOs

Info

ID:	27112
PubChem CID:	814338
Reduced:	SO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	347.110376
ΔH_f, kcal/mol:	-12.35
Dipole, Da:	5.23
IP(EA), eV:	-8.86(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CN(CC2CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations