Geometry & MOs

Info

ID:

222957

PubChem CID:

85333474

Reduced:

O4N5C16H30 (2)

Stoich.:

A4B5C16D30 (2)

Weight, g/mol:

714.30718

ΔHf, kcal/mol:

-427.4

Dipole, Da:

4.35

IP(EA), eV:

 -9.09(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[(3-chloro-4-methoxyphenyl)methyl]-3-(2-methylpropyl)-7-phenyl-16-[1-(3-phenyloxiran-2-yl)ethyl]-1-oxa-4,8-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

CCCC(C(=O)NC(CCCCNC(=O)C)C(=O)NC(CCCN=C(N)N)C(=O)NCC)NC(=O)C(CO)NC(=O)C(C(C)CC)NC(=O)C

DOS

IR

Vibrations