Geometry & MOs

Info

ID:	35001
PubChem CID:	7979182
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	6.15
IP(EA), eV:	-8.46(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-methylcyclohexyl)amino]-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

CC1=CC=C(C=C1)C(=O)NNC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations