Geometry & MOs

Info

ID:	36481
PubChem CID:	8007394
Reduced:	ClO3N4H15C17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	390.080491
ΔH_f, kcal/mol:	31.38
Dipole, Da:	6.37
IP(EA), eV:	-9.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(CC2=NN=C(O2)C3=CC=CC=C3Cl)C4CC4

DOS

IR

Vibrations