Geometry & MOs

Info

ID:	418988
PubChem CID:	135107264
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	308.173607
ΔH_f, kcal/mol:	-1.48
Dipole, Da:	2.74
IP(EA), eV:	-9.06(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(2-methyl-1H-pyrrol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CNC2=C(C=CC=N2)C(=O)N3CCCC3

DOS

IR

Vibrations