Geometry & MOs

Info

ID:

80070

PubChem CID:

49832659

Reduced:

BN3O6C21H24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

734.273398

ΔHf, kcal/mol:

-294.23

Dipole, Da:

8.03

IP(EA), eV:

 -9.66(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,22S,28Z,30S,35S)-N-cyclopropylsulfonyl-5,20,34,36-tetraoxo-16,19-dioxa-1,4,21,33,39-pentazahexacyclo[20.13.1.13,35.16,10.111,15.030,32]nonatriaconta-6,8,10(39),11(38),12,14,28-heptaene-32-carboxamide

Drug info:

PubChemData

Smile

B1([C@H](CC2=C(O1)C(=CC=C2)C(=O)O)NC(=O)C3=CC=CC(=C3)CN(CCN)C(=O)C)O

DOS

IR

Vibrations