Geometry & MOs

Info

ID:	217231
PubChem CID:	85087475
Reduced:	BrSN2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	345.096085
ΔH_f, kcal/mol:	49.72
Dipole, Da:	9.04
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]-[(4-methoxyphenyl)methylideneamino]amino]acetic acid

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(C(C(=S)N2)C#N)C3=CC=C(C=C3)Br

DOS

IR

Vibrations