Geometry & MOs

Info

ID:	123052
PubChem CID:	50831500
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	-78.85
Dipole, Da:	5.97
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydro-1H-isoquinolin-2-yl-[5-(3,4-dimethylphenyl)-2-methyl-1H-pyrrol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)N2CCC(CC2)C3=NOC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations