Geometry & MOs

Info

ID:	218367
PubChem CID:	85089236
Reduced:	SN2O4C25H30 (1)
Stoich.:	AB2C4D25E30 (1)
Weight, g/mol:	452.053435
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	7.0
IP(EA), eV:	-9.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-oxo-6-propan-2-yl-3-[2-(thiophen-2-ylsulfonylmethyl)-1,3-thiazol-4-yl]-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(S2)COCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations