Geometry & MOs

Info

ID:

170907

PubChem CID:

75299092

Reduced:

SN6O8C40H50 (1)

Stoich.:

AB6C8D40E50 (1)

Weight, g/mol:

790.335998

ΔHf, kcal/mol:

-261.81

Dipole, Da:

4.76

IP(EA), eV:

 -8.95(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-5,24,38,40-tetraoxo-16,23-dioxa-1,4,25,37,43-pentazahexacyclo[24.13.1.13,39.16,10.111,15.034,36]tritetraconta-6,8,10(43),11(42),12,14,32-heptaene-36-carboxamide

Drug info:

PubChemData

Smile

C1CCCOC2=CC=CC(=C2)C3=NC(=CC=C3)C(=O)NC4CC5C(=O)NC6(CC6C=CCCCCCC(C(=O)N5C4)NC(=O)CC1)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations