Geometry & MOs

Info

ID:	171502
PubChem CID:	75384283
Reduced:	NSO4C17H27 (1)
Stoich.:	ABC4D17E27 (1)
Weight, g/mol:	322.117356
ΔH_f, kcal/mol:	-158.49
Dipole, Da:	4.6
IP(EA), eV:	-8.38(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[1-(2,5-dimethylthiophen-3-yl)-2-methylpropyl]amino]methyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC2CCCCC2S(=O)(=O)C)OC

DOS

IR

Vibrations