Geometry & MOs

Info

ID:	139792
PubChem CID:	52596215
Reduced:	SO2N5C24H29 (1)
Stoich.:	AB2C5D24E29 (1)
Weight, g/mol:	452.212021
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	8.03
IP(EA), eV:	-8.76(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1S)-2-[[3-(phenylcarbamoylamino)phenyl]carbamoylamino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNC(=O)NC1=CC(=CC=C1)NC(=O)NC2=CC=CC=C2)C3=CSC=C3

DOS

IR

Vibrations