Geometry & MOs

Info

ID:	139871
PubChem CID:	52610188
Reduced:	O2S2N3C23H33 (1)
Stoich.:	A2B2C3D23E33 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	1.58
IP(EA), eV:	-8.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations