Geometry & MOs

Info

ID:	155788
PubChem CID:	56367557
Reduced:	BrSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	456.092597
ΔH_f, kcal/mol:	12.28
Dipole, Da:	5.01
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NC2=CN=CC=C2)SC3=NC=C(C=C3)Br

DOS

IR

Vibrations