Geometry & MOs

Info

ID:

417212

PubChem CID:

135091719

Reduced:

SCl2O6N7C36H43 (1)

Stoich.:

AB2C6D7E36F43 (1)

Weight, g/mol:

477.226371

ΔHf, kcal/mol:

-216.66

Dipole, Da:

8.76

IP(EA), eV:

 -9.35(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S,14S)-12-(cyclopropanecarbonyl)-2,9-dioxa-12,15,19-triazatetracyclo[21.2.2.13,7.010,14]octacosa-1(25),3,5,7(28),23,26-hexaene-16,20-dione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)CC4=CC(=C(C=C4)Cl)Cl)C)C)C(C)C

DOS

IR

Vibrations