Geometry & MOs

Info

ID:	414377
PubChem CID:	135087333
Reduced:	ClO2N4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	406.210387
ΔH_f, kcal/mol:	-43.85
Dipole, Da:	6.18
IP(EA), eV:	-8.7(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-9-(3-hydroxy-4-methylbenzoyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations