Geometry & MOs

Info

ID:	64289
PubChem CID:	29198911
Reduced:	SN4O4C21H28 (1)
Stoich.:	AB4C4D21E28 (1)
Weight, g/mol:	401.0375
ΔH_f, kcal/mol:	-151.33
Dipole, Da:	2.95
IP(EA), eV:	-8.46(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-[2-(2-bromobenzoyl)hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CSCC(=O)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations