Geometry & MOs

Info

ID:	443069
PubChem CID:	135257598
Reduced:	ClO3N6C18H27 (1)
Stoich.:	AB3C6D18E27 (1)
Weight, g/mol:	533.080809
ΔH_f, kcal/mol:	-89.33
Dipole, Da:	2.83
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CCCC[C@@H](CO)NC1=NC(=NC=C1O)NC(=O)CCN2C(=CC(=N2)C)CCl

DOS

IR

Vibrations