Geometry & MOs

Info

ID:	84537
PubChem CID:	49867401
Reduced:	SN7H11C13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	145.32
Dipole, Da:	5.81
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z)-2-(1-amino-3-methylbutylidene)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]imidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NSC(=C1)NC2=NC=CN3C2=NC=C3C4=CNN=C4

DOS

IR

Vibrations