Geometry & MOs

Info

ID:	43557
PubChem CID:	10321465
Reduced:	NOC8F17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	448.01645
ΔH_f, kcal/mol:	-839.1
Dipole, Da:	1.09
IP(EA), eV:	-11.98(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5Z)-2-amino-5-[3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-hydroxypropylidene]imidazol-4-yl]amino]ethanesulfonic acid

Drug info:

PubChemData

Smile

C(=N/OC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(\C(C(C(F)(F)F)(F)F)(F)F)/F

DOS

IR

Vibrations