Geometry & MOs

Info

ID:

419169

PubChem CID:

135107670

Reduced:

ClN2O3C16H19 (1)

Stoich.:

AB2C3D16E19 (1)

Weight, g/mol:

755.357737

ΔHf, kcal/mol:

-51.5

Dipole, Da:

8.26

IP(EA), eV:

 -9.36(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-7-propan-2-yl-15-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-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

CC1=CC(=C(C=C1)Cl)C(=O)N2C[C@@H]3COC[C@H](C2)N(C3=O)C

DOS

IR

Vibrations