Geometry & MOs

Info

ID:	34949
PubChem CID:	7979124
Reduced:	NSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-205.35
Dipole, Da:	2.99
IP(EA), eV:	-9.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethoxycarbonylamino)-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

CC1=C(C=C(O1)COC(=O)[C@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations