Geometry & MOs

Info

ID:	34931
PubChem CID:	7979100
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	363.088892
ΔH_f, kcal/mol:	-120.37
Dipole, Da:	3.25
IP(EA), eV:	-9.28(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(carbamoylamino)-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations