Geometry & MOs

Info

ID:	221593
PubChem CID:	85285412
Reduced:	Br2O7C19H24 (1)
Stoich.:	A2B7C19D24 (1)
Weight, g/mol:	524.180818
ΔH_f, kcal/mol:	-275.86
Dipole, Da:	3.42
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[2-(5-amino-6-cyanopyrazin-2-yl)ethenyl]benzoyl]amino]-5-(1,3-dioxoisoindol-2-yl)pentanoate

Drug info:

PubChemData

Smile

CCCCC(C1(OC(C(O1)C(=O)OC)C(=O)OC)C2=CC(=C(C=C2)OC)Br)Br

DOS

IR

Vibrations