Geometry & MOs

Info

ID:	326817
PubChem CID:	126688274
Reduced:	F3O4N5H20C21 (1)
Stoich.:	A3B4C5D20E21 (1)
Weight, g/mol:	506.177704
ΔH_f, kcal/mol:	-233.25
Dipole, Da:	7.07
IP(EA), eV:	-8.71(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R)-4-hydroxybutan-2-yl]-6-methoxy-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1COCC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=NC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations