Geometry & MOs

Info

ID:	62248
PubChem CID:	26718562
Reduced:	BrSN3O4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	495.02523
ΔH_f, kcal/mol:	-92.86
Dipole, Da:	3.17
IP(EA), eV:	-9.35(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-4-(1,3-benzothiazol-2-yl)-5-(furan-2-yl)pent-4-enoyl]-4-bromobenzohydrazide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)CCC(=O)NCCC(=O)NNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations