Geometry & MOs

Info

ID:	35552
PubChem CID:	7980021
Reduced:	ClSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	347.163377
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	3.61
IP(EA), eV:	-8.88(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-tert-butylbenzoyl)quinoline-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)CCCSC2=CC=C(C=C2)Cl

DOS

IR

Vibrations