Geometry & MOs

Info

ID:	80868
PubChem CID:	49846695
Reduced:	N2O3C9H10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	602.30391
ΔH_f, kcal/mol:	-58.34
Dipole, Da:	7.88
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N,2,6-trimethyl-N-[[4-[(3-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-benzimidazol-2-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)/C=C/C(=O)NO

DOS

IR

Vibrations