Geometry & MOs

Info

ID:	326903
PubChem CID:	126688607
Reduced:	N3O4C16H23 (1)
Stoich.:	A3B4C16D23 (1)
Weight, g/mol:	520.139211
ΔH_f, kcal/mol:	-168.94
Dipole, Da:	2.68
IP(EA), eV:	-8.13(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(3-oxothiomorpholin-4-yl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]propyl acetate

Drug info:

PubChemData

Smile

CC(CCOC(=O)C)NC1=C(C=C(C=C1)N2CCCOC2=O)N

DOS

IR

Vibrations