Geometry & MOs

Info

ID:	404281
PubChem CID:	135065652
Reduced:	NO4C13H23 (1)
Stoich.:	AB4C13D23 (1)
Weight, g/mol:	451.91933
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	1.4
IP(EA), eV:	-9.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-[3-(3,5-dichlorophenyl)-3-(trifluoromethyl)oxiran-2-yl]methanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)[C@@]1(CO1)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations