Geometry & MOs

Info

ID:	419630
PubChem CID:	135108565
Reduced:	NO2C21H31 (1)
Stoich.:	AB2C21D31 (1)
Weight, g/mol:	433.178376
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	4.86
IP(EA), eV:	-9.12(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R,5S)-5-hydroxy-4-methyl-9-(1,3-thiazole-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-(3-methylpyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations