Geometry & MOs

Info

ID:	64088
PubChem CID:	29196081
Reduced:	BrClFSN3O3C19H20 (1)
Stoich.:	ABCDE3F3G19H20 (1)
Weight, g/mol:	394.075406
ΔH_f, kcal/mol:	-117.88
Dipole, Da:	8.71
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methoxy-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=C(C=CC(=C2)Br)Cl)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations