Geometry & MOs

Info

ID:	131338
PubChem CID:	51192035
Reduced:	OSN4C16H22 (1)
Stoich.:	ABC4D16E22 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-26.95
Dipole, Da:	1.84
IP(EA), eV:	-8.64(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[1-(2,5-dimethylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC(C)C(=O)NC3CCCC3)C

DOS

IR

Vibrations