Geometry & MOs

Info

ID:	309732
PubChem CID:	126556596
Reduced:	IO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	567.201477
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	2.99
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[(1R)-1-(4-ethylsulfonylphenyl)-2-hydroxyethyl]-2-[[(3R,6R)-6-(trifluoromethyl)oxan-3-yl]methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC(=O)OC(C)(C)CC)I

DOS

IR

Vibrations