Geometry & MOs

Info

ID:	141054
PubChem CID:	52810690
Reduced:	FSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	442.042188
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	6.76
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C[C@H](CC2=O)C(=O)NC3=CC=CC=C3SC4=NC=CN4C)F

DOS

IR

Vibrations