Geometry & MOs

Info

ID:	150276
PubChem CID:	53789964
Reduced:	ClO3N4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	356.10823
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	5.47
IP(EA), eV:	-9.2(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyphenyl) 2-(4-but-2-ynoxyphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C2CC(C3=CC=CC=C3N(C2=O)CC(=O)NC(C)(C)C)C4=CC(=CC=C4)Cl)C(=O)N

DOS

IR

Vibrations