Geometry & MOs

Info

ID:	139872
PubChem CID:	52610220
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	400.205873
ΔH_f, kcal/mol:	-26.17
Dipole, Da:	4.68
IP(EA), eV:	-8.51(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[(1S)-2-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]-1-thiophen-3-ylethyl]azanium

Drug info:

PubChemData

Smile

CCN(CC)[C@@H](CNC(=O)C1=C(N(C(=C1)C)CC2=CC=CO2)C)C3=CSC=C3

DOS

IR

Vibrations