Geometry & MOs

Info

ID:

321090

PubChem CID:

126664697

Reduced:

SF4N4O5C30H38 (1)

Stoich.:

AB4C4D5E30F38 (1)

Weight, g/mol:

775.04768

ΔHf, kcal/mol:

-371.27

Dipole, Da:

2.96

IP(EA), eV:

 -8.51(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(8R)-8-(chloromethyl)-4-hydroxy-1-(iodomethyl)-7,8-dihydrothieno[3,2-e]indole-6-carbonyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C4(CCC(CC4)(F)F)C5=CC=C(C=C5)F)NC(=O)O)S(C1)(O)O

DOS

IR

Vibrations