Geometry & MOs

Info

ID:	326821
PubChem CID:	126688287
Reduced:	F3O3N4H17C22 (1)
Stoich.:	A3B3C4D17E22 (1)
Weight, g/mol:	497.223846
ΔH_f, kcal/mol:	-145.26
Dipole, Da:	4.71
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-(cyclopropylmethyl)-2-oxopiperazin-1-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(difluoromethyl)benzamide

Drug info:

PubChemData

Smile

C#CCN1C2=C(C=C(C=C2)N3CCCOC3=O)N=C1NC(=O)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations