Geometry & MOs

Info

ID:	258610
PubChem CID:	103155607
Reduced:	N2O2C17H22 (1)
Stoich.:	A2B2C17D22 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-61.0
Dipole, Da:	3.49
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-3-methoxybutanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CC(CN)OC

DOS

IR

Vibrations