Geometry & MOs

Info

ID:	129400
PubChem CID:	51072491
Reduced:	NS2O3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	3.59
IP(EA), eV:	-9.18(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-(1-thiophen-2-ylethyl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NC(C)C2=CC=CS2

DOS

IR

Vibrations