Geometry & MOs

Info

ID:	78121
PubChem CID:	49681692
Reduced:	N3S3O4C22H27 (1)
Stoich.:	A3B3C4D22E27 (1)
Weight, g/mol:	309.151098
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	7.77
IP(EA), eV:	-8.66(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N'-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)OC)CCSC

DOS

IR

Vibrations