Geometry & MOs

Info

ID:	68236
PubChem CID:	46508024
Reduced:	SO2N5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	433.140449
ΔH_f, kcal/mol:	-23.67
Dipole, Da:	9.13
IP(EA), eV:	-9.02(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)N(C)C

DOS

IR

Vibrations