Geometry & MOs

Info

ID:

215671

PubChem CID:

85085060

Reduced:

O13N16C54H84 (1)

Stoich.:

A13B16C54D84 (1)

Weight, g/mol:

1164.6364

ΔHf, kcal/mol:

-559.03

Dipole, Da:

6.77

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[2-(bromomethyl)-3-[9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]-2-[[9-(diethylcarbamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-4-yl]methyl]propyl]-7-methyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N(CC(C)C)CC(=O)O)NC(=O)CN(CCN)C(=O)CNC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations