Geometry & MOs

Info

ID:	310527
PubChem CID:	126581602
Reduced:	S2O3N4C28H36 (1)
Stoich.:	A2B3C4D28E36 (1)
Weight, g/mol:	501.102828
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	2.37
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoylcarbamoyl]-3-methyl-5-pyrrol-1-ylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCN(C4)CC)N5C=CC=C5

DOS

IR

Vibrations