Geometry & MOs

Info

ID:	35101
PubChem CID:	7979305
Reduced:	N2O3C20H32 (1)
Stoich.:	A2B3C20D32 (1)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-123.93
Dipole, Da:	2.97
IP(EA), eV:	-8.34(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)CC1CCCCC1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations