Geometry & MOs

Info

ID:	69041
PubChem CID:	46516492
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	461.084339
ΔH_f, kcal/mol:	-130.18
Dipole, Da:	3.18
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC=C2N3CCCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations