Geometry & MOs

Info

ID:	138728
PubChem CID:	52416652
Reduced:	O3N6C20H22 (1)
Stoich.:	A3B6C20D22 (1)
Weight, g/mol:	253.023121
ΔH_f, kcal/mol:	-7.77
Dipole, Da:	3.14
IP(EA), eV:	-8.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-hydroxy-2-thiophen-3-ylethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCN2C(=O)C=CC=N2)C3=NN=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations