Geometry & MOs

Info

ID:	423416
PubChem CID:	135119472
Reduced:	SO3N6C27H42 (1)
Stoich.:	AB3C6D27E42 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	4.76
IP(EA), eV:	-8.73(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)OCCCN3C=C(CN(CCCNC(=O)[C@@H](NC2=O)CCSC)CC(C)(C)C)N=N3

DOS

IR

Vibrations