Geometry & MOs

Info

ID:	137656
PubChem CID:	52241998
Reduced:	OF3N5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	425.096476
ΔH_f, kcal/mol:	-136.7
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754033
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CCCNC(=O)C2=C(N(N=C2)C3=NC=C(C=C3)C(F)(F)F)C(C)C

DOS

IR

Vibrations