Geometry & MOs

Info

ID:	57393
PubChem CID:	22395821
Reduced:	FSCl2N2O6H25C28 (1)
Stoich.:	ABC2D2E6F25G28 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-245.55
Dipole, Da:	7.78
IP(EA), eV:	-9.76(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbaldehyde

Drug info:

PubChemData

Smile

CC1(CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F)C(=O)O

DOS

IR

Vibrations