Geometry & MOs

Info

ID:	326814
PubChem CID:	126688260
Reduced:	SF2N4O5C24H24 (1)
Stoich.:	AB2C4D5E24F24 (1)
Weight, g/mol:	515.214424
ΔH_f, kcal/mol:	-223.55
Dipole, Da:	3.02
IP(EA), eV:	-8.94(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-cyclopropyl-7-oxo-1,4-diazepan-1-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1N2C3=C(C=C(C=C3)N4CCOCC4=O)N=C2NC(=O)C5=CC=CC(=C5)C(F)F

DOS

IR

Vibrations