Geometry & MOs

Info

ID:

445348

PubChem CID:

135266333

Reduced:

FSN5C39H54 (1)

Stoich.:

ABC5D39E54 (1)

Weight, g/mol:

946.509208

ΔHf, kcal/mol:

66.65

Dipole, Da:

2.56

IP(EA), eV:

 -7.14(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[[8-[2-[(2E,4Z)-6-chlorohexa-2,4-dien-3-yl]-4-formyl-1,5-dimethylpyrrol-3-yl]-1,4,5,8-tetramethyl-3,5-dihydro-2H-quinoxalin-6-yl]amino]ethyl-methylamino]phenyl]-4-[[5-hydroxy-2-methyl-7-(propylamino)heptan-2-yl]amino]-3-sulfanylbenzenesulfinamide

Drug info:

PubChemData

Smile

CC(=C(C(=C)NC1CCCCC1)/C(=C(\C)/C(=C/C=C)/C=CF)/C2=CC(=CC=C2)N3CCN(C3)C4=CC=C(C=C4)NS(C)(C)NC)C

DOS

IR

Vibrations