Geometry & MOs

Info

ID:	13883
PubChem CID:	399568
Reduced:	S2O3N5H25C26 (1)
Stoich.:	A2B3C5D25E26 (1)
Weight, g/mol:	519.139882
ΔH_f, kcal/mol:	21.28
Dipole, Da:	6.05
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-N'-phenylcarbamimidothioic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=NC3=CC=CC=C3)S)C4=CC=C(C=C4)OC

DOS

IR

Vibrations