Geometry & MOs

Info

ID:	62247
PubChem CID:	26718560
Reduced:	BrO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	451.02014
ΔH_f, kcal/mol:	38.55
Dipole, Da:	4.23
IP(EA), eV:	-9.02(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-bromobenzoyl)hydrazinyl]-3-oxopropyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2CC(=O)NNC(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations