Geometry & MOs

Info

ID:	49397
PubChem CID:	11532967
Reduced:	FN3O5C25H32 (1)
Stoich.:	AB3C5D25E32 (1)
Weight, g/mol:	473.152161
ΔH_f, kcal/mol:	-227.01
Dipole, Da:	4.09
IP(EA), eV:	-9.41(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-indol-1-yl-2,5-dioxopyrrol-3-yl)-5-methoxyindol-1-yl]propyl carbamimidothioate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)C1=NC2=C(O1)C=C(C=C2)F)NC(=O)O[C@@H](CC3CCCCC3)C(=O)N4CCCC4

DOS

IR

Vibrations