Geometry & MOs

Info

ID:	335014
PubChem CID:	127253820
Reduced:	NO2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	505.221286
ΔH_f, kcal/mol:	-163.28
Dipole, Da:	3.48
IP(EA), eV:	-8.99(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCOC)C(=O)N)C3=CC=CC=C3O2

DOS

IR

Vibrations