Geometry & MOs

Info

ID:	78146
PubChem CID:	49681723
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	0.93
IP(EA), eV:	-8.76(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2,5-dimethylphenyl)-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CCN(CC2)CC3=CSC=C3)C

DOS

IR

Vibrations