Geometry & MOs

Info

ID:	133308
PubChem CID:	51506907
Reduced:	BrFN2O5H13C19 (1)
Stoich.:	ABC2D5E13F19 (1)
Weight, g/mol:	501.106704
ΔH_f, kcal/mol:	-161.53
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.031291
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(4R)-1-[(4-methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)CC3=CC=C(C=C3)F)Br)[O-]

DOS

IR

Vibrations