Geometry & MOs

Info

ID:	43236
PubChem CID:	10320033
Reduced:	ClO2N3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	422.070126
ΔH_f, kcal/mol:	-8.88
Dipole, Da:	3.7
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3,3,3-trifluoro-2-hydroxy-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1C2=CC=C(C=C2)C(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)NC4CC4

DOS

IR

Vibrations