Geometry & MOs

Info

ID:	326898
PubChem CID:	126688601
Reduced:	F2N4O5C23H24 (1)
Stoich.:	A2B4C5D23E24 (1)
Weight, g/mol:	603.230468
ΔH_f, kcal/mol:	-239.57
Dipole, Da:	4.01
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-(3-acetyloxypropyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-5-yl]-3-oxopiperazine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations