Geometry & MOs

Info

ID:	27117
PubChem CID:	814347
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	347.110376
ΔH_f, kcal/mol:	-40.57
Dipole, Da:	4.34
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-3-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=CO3

DOS

IR

Vibrations