Geometry & MOs

Info

ID:	232761
PubChem CID:	87576920
Reduced:	ClO3N6H29C30 (1)
Stoich.:	AB3C6D29E30 (1)
Weight, g/mol:	425.198442
ΔH_f, kcal/mol:	17.77
Dipole, Da:	7.87
IP(EA), eV:	-8.97(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,5-diamino-5-sulfanylidenepentanoate;2,2,2-tris(prop-2-ynoxy)ethanamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)C(/C=C/C(=O)N)N(C)C

DOS

IR

Vibrations