Geometry & MOs

Info

ID:

189895

PubChem CID:

77921548

Reduced:

SO5N7C33H45 (1)

Stoich.:

AB5C7D33E45 (1)

Weight, g/mol:

587.256626

ΔHf, kcal/mol:

-175.06

Dipole, Da:

7.11

IP(EA), eV:

 -8.78(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-11,16-dimethyl-N-(naphthalen-2-ylmethyl)-9,12,17-trioxo-2-thia-8,11,16-triazatricyclo[16.3.1.04,8]docosa-1(21),18(22),19-triene-15-carboxamide

Drug info:

PubChemData

Smile

CN1CC(=O)N2CC(CC2CSC3=CC=CC(=C3)C(=O)N(C(CCC1=O)C(=O)NCCN(C)C)C)NC(=O)CCC4=CC=NC=C4

DOS

IR

Vibrations