Geometry & MOs

Info

ID:	34689
PubChem CID:	7978828
Reduced:	SN3O5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	403.120192
ΔH_f, kcal/mol:	-167.32
Dipole, Da:	2.82
IP(EA), eV:	-9.1(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)NC(=O)COC(=O)[C@@H]2CS[C@@]3(N2C(=O)CC3)C4=CC=CC=C4

DOS

IR

Vibrations