Geometry & MOs

Info

ID:

7135

PubChem CID:

71337

Reduced:

ClO5N6H39C41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

730.267046

ΔHf, kcal/mol:

-82.68

Dipole, Da:

5.73

IP(EA), eV:

 -7.97(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(8S)-4-[anilino(hydroxy)methoxy]-8-(chloromethyl)-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-1H-indol-5-yl]-6-(diethylamino)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5C[C@H](C6=C7C(=CNC7=C(C=C65)OC(NC8=CC=CC=C8)O)C)CCl

DOS

IR

Vibrations