Geometry & MOs

Info

ID:	79491
PubChem CID:	49786821
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	414.153934
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	5.29
IP(EA), eV:	-8.53(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-4-ylmethyl)-2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N2CCCC(C2)C3=CC(=NO3)C(=O)NC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations