Geometry & MOs

Info

ID:	31738
PubChem CID:	3288079
Reduced:	ClS2N3O4C26H26 (1)
Stoich.:	AB2C3D4E26F26 (1)
Weight, g/mol:	499.154133
ΔH_f, kcal/mol:	-87.07
Dipole, Da:	7.28
IP(EA), eV:	-9.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-naphthalen-1-yl-4-[4-(trifluoromethyl)benzoyl]-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC=C)CC(=O)N2CCC3=C(C2C4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations