Geometry & MOs

Info

ID:	214777
PubChem CID:	85083623
Reduced:	N3O3C16H21 (2)
Stoich.:	A3B3C16D21 (2)
Weight, g/mol:	606.1647
ΔH_f, kcal/mol:	-188.23
Dipole, Da:	3.22
IP(EA), eV:	-9.12(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-amino-5-phenoxyphenyl)disulfanyl]-4-phenoxyanilino]-1-(2-methoxyphenyl)but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC2=NN(N=C2C=C1C)C3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O

DOS

IR

Vibrations