Geometry & MOs

Info

ID:	139873
PubChem CID:	52610221
Reduced:	SO2N3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-20.29
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.980383
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations