Geometry & MOs

Info

ID:

416614

PubChem CID:

135089829

Reduced:

ClO7N9C42H54 (1)

Stoich.:

AB7C9D42E54 (1)

Weight, g/mol:

611.21015

ΔHf, kcal/mol:

-238.92

Dipole, Da:

8.67

IP(EA), eV:

 -8.45(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-(benzenesulfonyl)propanoyl]-5-fluoro-22-methoxy-2-oxa-9,14,18-triazatricyclo[18.2.2.13,7]pentacosa-1(22),3,5,7(25),20,23-hexaene-10,19-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=C(C=NN5C)Cl)C(C)C

DOS

IR

Vibrations