Geometry & MOs

Info

ID:	78026
PubChem CID:	49681568
Reduced:	SN3O4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	417.135842
ΔH_f, kcal/mol:	-106.26
Dipole, Da:	5.63
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C2=CC=CC=C2C=C1)C(=O)NC3=NC4=C(S3)CN(CC4)C(=O)OCC

DOS

IR

Vibrations