Geometry & MOs

Info

ID:

164489

PubChem CID:

74405818

Reduced:

SN10O11C30H47 (2)

Stoich.:

AB10C11D30E47 (2)

Weight, g/mol:

769.335664

ΔHf, kcal/mol:

-896.6

Dipole, Da:

8.9

IP(EA), eV:

 -9.17(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-29,33-dimethoxy-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=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCNCCC(=O)N)O

DOS

IR

Vibrations