Geometry & MOs

Info

ID:	34964
PubChem CID:	7979141
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-72.87
Dipole, Da:	5.32
IP(EA), eV:	-8.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCOC

DOS

IR

Vibrations