Geometry & MOs

Info

ID:	80898
PubChem CID:	49846996
Reduced:	FN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	592.202338
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	7.22
IP(EA), eV:	-9.2(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,6-dimethyl-N-[[4-(2-pyridin-4-yl-2,8-diazaspiro[4.5]decane-8-carbonyl)-1H-benzimidazol-2-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CN(C(=O)C(=C1)/C=C/C(=O)NO)CC2=CC=C(C=C2)F

DOS

IR

Vibrations