Geometry & MOs

Info

ID:

223075

PubChem CID:

85334479

Reduced:

N15O16C50H81 (1)

Stoich.:

A15B16C50D81 (1)

Weight, g/mol:

1147.771438

ΔHf, kcal/mol:

-752.01

Dipole, Da:

17.73

IP(EA), eV:

 -9.5(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[bis[4-[[7-(dimethylamino)-1-(2-methyl-2,3-dihydro-1H-indol-3-yl)-2-oxoheptan-3-yl]amino]phenyl]methyl]anilino]-7-(dimethylamino)-1-(2-methyl-2,3-dihydro-1H-indol-3-yl)heptan-2-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations