Geometry & MOs

Info

ID:	156413
PubChem CID:	56370510
Reduced:	ON2F6H12C16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	443.160281
ΔH_f, kcal/mol:	-307.53
Dipole, Da:	5.58
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)F)C(F)(F)F)C(F)F

DOS

IR

Vibrations