Geometry & MOs

Info

ID:

164491

PubChem CID:

74406261

Reduced:

SN5O10C40H51 (1)

Stoich.:

AB5C10D40E51 (1)

Weight, g/mol:

797.366964

ΔHf, kcal/mol:

-327.94

Dipole, Da:

10.21

IP(EA), eV:

 -8.59(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-29,33-dimethoxy-24,24-dimethyl-7,21,37-trioxo-2,22-dioxa-5,8,20,32-tetrazahexacyclo[26.6.2.13,6.15,19.09,11.031,35]octatriaconta-1(34),28(36),29,31(35),32-pentaene-9-carboxamide

Drug info:

PubChemData

Smile

CC1(CC=CC2=CC3=C(C=C2OC)N=C(C=C3OC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)OC1)C(=O)NS(=O)(=O)C7CC7)OC)C

DOS

IR

Vibrations