Geometry & MOs

Info

ID:	176013
PubChem CID:	75981445
Reduced:	SN2O3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	-38.99
Dipole, Da:	3.99
IP(EA), eV:	-8.85(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC1=CC=CC=C1C2=NC3=CC=CC=C3S2)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations