Geometry & MOs

Info

ID:	418847
PubChem CID:	135106952
Reduced:	NSO2C8H12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	330.230728
ΔH_f, kcal/mol:	-160.42
Dipole, Da:	4.53
IP(EA), eV:	-9.53(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-N-(2-ethyl-6-methylphenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)C(=O)O

DOS

IR

Vibrations