Geometry & MOs

Info

ID:

443543

PubChem CID:

135259287

Reduced:

SO3N6C22H24 (1)

Stoich.:

AB3C6D22E24 (1)

Weight, g/mol:

1099.443968

ΔHf, kcal/mol:

-56.92

Dipole, Da:

4.03

IP(EA), eV:

 -8.89(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dioxopyrrol-1-yl)ethyl]-N'-[1-[[1-[3-[(8-methoxy-6-oxo-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]-5-[(8-methoxy-6-oxo-11,12,12a,13-tetrahydroindolo[2,1-c][1,4]benzodiazepin-9-yl)oxymethyl]anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanediamide

Drug info:

PubChemData

Smile

CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=C5C=C(SC5=NC=N4)C(=O)N(C)C)CCCCC3

DOS

IR

Vibrations