Geometry & MOs

Info

ID:

190510

PubChem CID:

78013826

Reduced:

F2N5O8C50H59 (1)

Stoich.:

A2B5C8D50E59 (1)

Weight, g/mol:

476.188212

ΔHf, kcal/mol:

-257.03

Dipole, Da:

6.31

IP(EA), eV:

 -8.44(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1H-indol-5-yl)-5-(2-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carbonyl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(C(C=C45)C6(CC7CC(CN(C7)CC8=C6NC9=C8C=C(C=C9)C1=CC=NC=C1)C(C)(F)F)C(=O)OC)OC)C

DOS

IR

Vibrations