Geometry & MOs

Info

ID:

417814

PubChem CID:

135102813

Reduced:

OSN6C21H28 (1)

Stoich.:

ABC6D21E28 (1)

Weight, g/mol:

733.325768

ΔHf, kcal/mol:

21.15

Dipole, Da:

3.0

IP(EA), eV:

 -8.45(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[2-(2-methoxyphenyl)acetyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(CCCC2)C(=N1)N3C[C@@H]4CC[C@H](C3)N(C4=O)CC5=CSC=N5

DOS

IR

Vibrations