Geometry & MOs

Info

ID:	38263
PubChem CID:	8028558
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	379.066048
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	2.88
IP(EA), eV:	-9.31(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)N2C=NC3=CC=CC=C3C2=O

DOS

IR

Vibrations