Geometry & MOs

Info

ID:

425887

PubChem CID:

135129296

Reduced:

O2S2N7C19H19 (1)

Stoich.:

A2B2C7D19E19 (1)

Weight, g/mol:

723.239452

ΔHf, kcal/mol:

52.01

Dipole, Da:

10.78

IP(EA), eV:

 -8.24(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-(chloromethyl)-1-methyl-6-[5-[5-[[2-(methylamino)acetyl]amino]-1H-indol-2-yl]-1H-indole-2-carbonyl]-7,8-dihydrothieno[3,2-e]indol-4-yl] 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=CC3=C2C(=O)N=C(N3)NC4=CC(=CS4)C(=O)N5CCSCC5

DOS

IR

Vibrations