Geometry & MOs

Info

ID:

167367

PubChem CID:

74816286

Reduced:

OSN5C23H27 (1)

Stoich.:

ABC5D23E27 (1)

Weight, g/mol:

1236.676762

ΔHf, kcal/mol:

47.08

Dipole, Da:

2.85

IP(EA), eV:

 -8.67(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(diethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3NNC(=S)N(N3C4CCCCC4C2=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations