Geometry & MOs

Info

ID:	243089
PubChem CID:	99215471
Reduced:	BrSO2N6C18H25 (1)
Stoich.:	ABC2D6E18F25 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-20.09
Dipole, Da:	5.26
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[5-(4-methoxyphenyl)pentanoyl]quinoline-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC[C@@H](C)NS(=O)(=O)C1=CN=C(C=C1)N2CCN(CC2)C3=NC=C(C=N3)Br

DOS

IR

Vibrations