Geometry & MOs

Info

ID:	78015
PubChem CID:	49681543
Reduced:	S2N3O3C20H27 (1)
Stoich.:	A2B3C3D20E27 (1)
Weight, g/mol:	367.080219
ΔH_f, kcal/mol:	-89.1
Dipole, Da:	6.13
IP(EA), eV:	-9.18(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC(=CS3)C(C)C

DOS

IR

Vibrations