Geometry & MOs

Info

ID:	38178
PubChem CID:	8027800
Reduced:	SN3O4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	349.055484
ΔH_f, kcal/mol:	-159.07
Dipole, Da:	3.22
IP(EA), eV:	-9.1(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aR,6aR)-3-benzyl-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]-2-cyanoacetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC[C@@H]1CCCO1)NC(=O)[C@@H]2CS[C@@H]3N2C(=O)C4=CC=CC=C34

DOS

IR

Vibrations