Geometry & MOs

Info

ID:

420049

PubChem CID:

135110888

Reduced:

ON5C19H23 (1)

Stoich.:

AB5C19D23 (1)

Weight, g/mol:

743.310118

ΔHf, kcal/mol:

44.81

Dipole, Da:

3.11

IP(EA), eV:

 -8.76(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-4,10,12-trimethyl-15-(2-methyl-1-benzofuran-5-carbonyl)-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

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)CC3=C(NN=C3)C4=CC=CC=C4

DOS

IR

Vibrations