Geometry & MOs

Info

ID:	159120
PubChem CID:	57260458
Reduced:	SN2O5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	424.272593
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	4.59
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-heptylphenyl)diazenyl]phenyl] 3-butoxypropanoate

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)COC3=CC=C(C=C3)C=C4C(=O)NC(=O)S4

DOS

IR

Vibrations