Geometry & MOs

Info

ID:

415916

PubChem CID:

135088918

Reduced:

ClN4O5C29H37 (1)

Stoich.:

AB4C5D29E37 (1)

Weight, g/mol:

737.300696

ΔHf, kcal/mol:

-205.86

Dipole, Da:

8.23

IP(EA), eV:

 -8.96(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(5-fluoro-2-methoxybenzoyl)-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

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations