Geometry & MOs

Info

ID:

383011

PubChem CID:

134974497

Reduced:

N10O11C36H60 (1)

Stoich.:

A10B11C36D60 (1)

Weight, g/mol:

438.211449

ΔHf, kcal/mol:

-492.35

Dipole, Da:

13.93

IP(EA), eV:

 -9.01(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)-3-methoxypropanoyl]-methylamino]propanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)N(C)C(=O)[C@@H]([C@@H](C1=CC=C(C=C1)O)OC)NC(=O)[C@H](CCC(=O)N)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](C(C)O)N

DOS

IR

Vibrations