Geometry & MOs

Info

ID:	166706
PubChem CID:	74723772
Reduced:	O3N6C23H25 (1)
Stoich.:	A3B6C23D25 (1)
Weight, g/mol:	474.047986
ΔH_f, kcal/mol:	77.55
Dipole, Da:	6.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 3.216288
Charge, e:	-1

Chem-info

IUPAC name:

1-(3-chloro-4-fluorophenyl)-4-[(3,4-dimethoxybenzoyl)amino]-5-oxo-4-(trifluoromethyl)imidazol-2-olate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C[NH+](C)CC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations