Geometry & MOs

Info

ID:	35058
PubChem CID:	7979243
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	411.114044
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	3.04
IP(EA), eV:	-9.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methoxyphenyl)-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

CC1=CC=C(C=C1)C(=O)NNC(=O)CCNC(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations