Geometry & MOs

Info

ID:	137102
PubChem CID:	52151988
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	9.4
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-hydroxy-3-(2-methylpropanoyl)-1-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=C2[C@H](N(C(=O)C2=O)CCCN(C)C)C3=CC=C(C=C3)C(C)C)O)C)C

DOS

IR

Vibrations