Geometry & MOs

Info

ID:

163836

PubChem CID:

74380526

Reduced:

OSN7C23H23 (1)

Stoich.:

ABC7D23E23 (1)

Weight, g/mol:

802.427865

ΔHf, kcal/mol:

87.68

Dipole, Da:

9.72

IP(EA), eV:

 -8.98(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-naphthalen-1-ylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=C(N=C(S2)C)C(=O)N3C(CC4C3C4)CNC5=NC=C(C(=N5)N)C#N

DOS

IR

Vibrations