Geometry & MOs

Info

ID:	34781
PubChem CID:	7978929
Reduced:	N2O2C23H32 (1)
Stoich.:	A2B2C23D32 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-96.52
Dipole, Da:	1.77
IP(EA), eV:	-9.44(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C1=CC=CC=C1)C(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations