Geometry & MOs

Info

ID:	234883
PubChem CID:	92303652
Reduced:	SN2O2C22H32 (1)
Stoich.:	AB2C2D22E32 (1)
Weight, g/mol:	388.218449
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	4.82
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-2-cyclohexyl-3-(4-methylbenzoyl)-N-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2[C@@H](CS[C@H]2C3CCCCC3)C(=O)NCC(C)C

DOS

IR

Vibrations