Geometry & MOs

Info

ID:	404649
PubChem CID:	135068480
Reduced:	NSO2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	308.198759
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	4.4
IP(EA), eV:	-8.43(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3Z,8E)-5-hydroxy-4,8,12-trimethyl-2-oxotrideca-3,8,12-trienoate

Drug info:

PubChemData

Smile

CC1=CC(=C2C[C@H](N(C2=C1)S(=O)(=O)C(C)(C)C)C=C)C

DOS

IR

Vibrations