Geometry & MOs

Info

ID:	326857
PubChem CID:	126688421
Reduced:	F3N4O4C24H25 (1)
Stoich.:	A3B4C4D24E25 (1)
Weight, g/mol:	499.203111
ΔH_f, kcal/mol:	-257.43
Dipole, Da:	2.27
IP(EA), eV:	-8.82(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[[3-(difluoromethyl)benzoyl]amino]-5-(4-methyl-2-oxopiperazin-1-yl)benzimidazol-1-yl]propyl acetate

Drug info:

PubChemData

Smile

CCC(CCO)N1C2=C(C=C(C=C2)N3CCOCC3=O)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations