Geometry & MOs

Info

ID:

80474

PubChem CID:

49834635

Reduced:

OSN3H21C25 (1)

Stoich.:

ABC3D21E25 (1)

Weight, g/mol:

782.276769

ΔHf, kcal/mol:

81.24

Dipole, Da:

2.94

IP(EA), eV:

 -8.5(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,24S,30Z,32S,37S)-N-cyclopropylsulfonyl-5,22,36,38-tetraoxo-15,21-dioxa-41-thia-1,4,8,23,35-pentazahexacyclo[22.13.1.13,37.16,9.110,14.032,34]hentetraconta-6,8,10(40),11,13,30-hexaene-34-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)CC3=CNC4=C3C=CC(=C4)OC5=NC6=CC=CC=C6S5

DOS

IR

Vibrations