Geometry & MOs

Info

ID:	196292
PubChem CID:	78805423
Reduced:	SO2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	363.042899
ΔH_f, kcal/mol:	-74.17
Dipole, Da:	2.48
IP(EA), eV:	-8.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dichlorobenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CN1C(=O)CSC2=CC=CC=C21

DOS

IR

Vibrations