Geometry & MOs

Info

ID:	60923
PubChem CID:	26703224
Reduced:	F3N3O4H20C26 (1)
Stoich.:	A3B3C4D20E26 (1)
Weight, g/mol:	498.080947
ΔH_f, kcal/mol:	-194.11
Dipole, Da:	10.2
IP(EA), eV:	-8.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC(=C(C=C3)OC(F)F)C4=CC=C(C=C4)OC

DOS

IR

Vibrations