Geometry & MOs

Info

ID:	208550
PubChem CID:	80543180
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	284.119464
ΔH_f, kcal/mol:	-49.85
Dipole, Da:	4.96
IP(EA), eV:	-9.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-amino-2-methylbutanoyl)amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(CCN)C(=O)N(C)CC1=C(C=CC(=C1)C#N)F

DOS

IR

Vibrations