Geometry & MOs

Info

ID:	195911
PubChem CID:	78747916
Reduced:	SN4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	82.96
Dipole, Da:	8.26
IP(EA), eV:	-8.22(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[cyclohexyl(ethyl)amino]-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(CNC(=S)NCC=C)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations