Geometry & MOs

Info

ID:	422414
PubChem CID:	135117795
Reduced:	ClO7N8C34H43 (1)
Stoich.:	AB7C8D34E43 (1)
Weight, g/mol:	321.149557
ΔH_f, kcal/mol:	-212.19
Dipole, Da:	5.44
IP(EA), eV:	-9.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-3-methylphenyl)-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)NCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C=CC(=C3)Cl)C(=O)N1)N=N2)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations