Geometry & MOs

Info

ID:	152788
PubChem CID:	56311859
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	3.07
IP(EA), eV:	-8.88(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropylmethyl-[2-oxo-2-[4-(thiophene-2-carbonylamino)anilino]ethyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC(=O)NCC3=CC=CS3

DOS

IR

Vibrations