Geometry & MOs

Info

ID:	237929
PubChem CID:	92722776
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	401.086784
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	2.82
IP(EA), eV:	-8.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl]methyl]-N-(thiophen-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCNC(=O)C2=C(C3=C(N2C)C=CC(=C3)OC)N4CCCC4=O)C

DOS

IR

Vibrations