Geometry & MOs

Info

ID:

170756

PubChem CID:

75276743

Reduced:

N5O7C40H61 (1)

Stoich.:

A5B7C40D61 (1)

Weight, g/mol:

1044.448737

ΔHf, kcal/mol:

-325.05

Dipole, Da:

7.21

IP(EA), eV:

 -9.43(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-5-[[1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(C(=O)OC(C)(C)C)C(C)(C)C)C(=O)NC(CC3CC3)C(=O)C(=O)NCCC4=CC=CC=C4)C

DOS

IR

Vibrations