Geometry & MOs

Info

ID:	61945
PubChem CID:	26716108
Reduced:	ClNO3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	479.151492
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	7.21
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)/C=C/C2=CC(=C(C(=C2)Cl)OC(C)C)OC

DOS

IR

Vibrations