Geometry & MOs

Info

ID:	29433
PubChem CID:	833754
Reduced:	SN2O2H16C17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	6.77
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4,5-dimethyl-3-[(propan-2-ylamino)methyl]thiophen-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations