Geometry & MOs

Info

ID:	37255
PubChem CID:	8018782
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	294.063841
ΔH_f, kcal/mol:	-111.31
Dipole, Da:	3.32
IP(EA), eV:	-8.71(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)[C@H](C)OC(=O)COC

DOS

IR

Vibrations