Geometry & MOs

Info

ID:	381238
PubChem CID:	134971906
Reduced:	NSO2C24H35 (1)
Stoich.:	ABC2D24E35 (1)
Weight, g/mol:	405.164365
ΔH_f, kcal/mol:	-76.75
Dipole, Da:	2.3
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4R,5R,6E)-4-methylsulfonyloxy-5-propan-2-yl-7-[(4R)-2,2,3-trimethyl-1,3-thiazolidin-4-yl]hepta-2,6-dienoate

Drug info:

PubChemData

Smile

CC(C)[C@H](/C=C/[C@@H]1CSC(N1C)(C)C)/C=C/[C@@H](CC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations