Geometry & MOs

Info

ID:

414351

PubChem CID:

135087307

Reduced:

SO6N8C34H42 (1)

Stoich.:

AB6C8D34E42 (1)

Weight, g/mol:

690.367573

ΔHf, kcal/mol:

-180.66

Dipole, Da:

4.52

IP(EA), eV:

 -9.6(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-15-[3-(1-methylcyclopropyl)propanoyl]-19-(2-methylpropyl)-13-propan-2-yl-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC=CC=N4)C)C)C(C)C

DOS

IR

Vibrations