Geometry & MOs

Info

ID:	416847
PubChem CID:	135090584
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-31.89
Dipole, Da:	2.04
IP(EA), eV:	-8.65(-0.83)
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-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CN1C)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations