Geometry & MOs

Info

ID:	195398
PubChem CID:	78681952
Reduced:	ClSN2O4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	375.179421
ΔH_f, kcal/mol:	-115.65
Dipole, Da:	6.57
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-acetamido-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Cl)C(=O)COC(=O)C(=CC2=CC=CC=C2)NC(=O)C

DOS

IR

Vibrations