Geometry & MOs

Info

ID:	422120
PubChem CID:	135117240
Reduced:	ClO2N4C18H27 (1)
Stoich.:	AB2C4D18E27 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-36.63
Dipole, Da:	3.64
IP(EA), eV:	-8.36(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4-hydroxy-N-(3-methylsulfanylphenyl)-7-azaspiro[4.5]decane-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)CC2=CC(=C(C=C2Cl)OC)OC

DOS

IR

Vibrations