Geometry & MOs

Info

ID:	68321
PubChem CID:	46508186
Reduced:	ClN4O4C17H17 (1)
Stoich.:	AB4C4D17E17 (1)
Weight, g/mol:	430.131091
ΔH_f, kcal/mol:	-120.44
Dipole, Da:	4.38
IP(EA), eV:	-9.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=C(N=CC=C2)Cl)NC(=O)N

DOS

IR

Vibrations