Geometry & MOs

Info

ID:	62917
PubChem CID:	26737611
Reduced:	BrSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	494.04121
ΔH_f, kcal/mol:	-5.6
Dipole, Da:	4.55
IP(EA), eV:	-8.67(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(5-bromothiophen-2-yl)butanoyl]-2-pyridin-3-ylquinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CSC(=N2)C3=CC=C(C=C3)OC)Br

DOS

IR

Vibrations