Geometry & MOs

Info

ID:	139547
PubChem CID:	52553813
Reduced:	N2S2O3C23H30 (1)
Stoich.:	A2B2C3D23E30 (1)
Weight, g/mol:	469.257671
ΔH_f, kcal/mol:	-97.67
Dipole, Da:	3.98
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2,2-dimethylpropanoylamino)butanoylamino]-2,5-diethoxyphenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations