Geometry & MOs

Info

ID:

446054

PubChem CID:

135272056

Reduced:

NO2C30H41 (1)

Stoich.:

AB2C30D41 (1)

Weight, g/mol:

1221.508416

ΔHf, kcal/mol:

-87.91

Dipole, Da:

1.69

IP(EA), eV:

 -9.26(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R)-8-(chloromethyl)-1-methyl-6-[5-(2-pyrrolidin-1-ylethoxy)-1H-indole-2-carbonyl]-7,8-dihydrothieno[3,2-e]indol-4-yl] N-[2-[[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)C(C)(CC)CCCC(C)C(C)(C)CN

DOS

IR

Vibrations