Geometry & MOs

Info

ID:	178725
PubChem CID:	76372952
Reduced:	Br2N2O4H14C19 (1)
Stoich.:	A2B2C4D14E19 (1)
Weight, g/mol:	503.162725
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	1.49
IP(EA), eV:	-9.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[[1-oxo-1-[(2-oxothietan-3-yl)amino]-3-phenylpropan-2-yl]amino]-3-phenylpropan-2-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN2C(C3C4=C(C=CC(=C4)Br)OC(=O)N3C1)C5=C(C=CC(=C5)Br)OC2=O

DOS

IR

Vibrations