Geometry & MOs

Info

ID:	422406
PubChem CID:	135117781
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-107.87
Dipole, Da:	2.34
IP(EA), eV:	-9.52(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-9-(1-methylimidazole-2-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC(=O)C2=CC=C(C=C2)N3CC(=O)NC3=O)CC4=CC=NC=C4

DOS

IR

Vibrations