Geometry & MOs

Info

ID:

326645

PubChem CID:

126687938

Reduced:

N8O13C50H78 (1)

Stoich.:

A8B13C50D78 (1)

Weight, g/mol:

366.19032

ΔHf, kcal/mol:

-606.45

Dipole, Da:

3.4

IP(EA), eV:

 -9.43(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S)-2-amino-2-[[(2R)-2-(methylamino)-3-phenylmethoxypropanoyl]amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CCO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)NC(CO)(CO)CO)O)N

DOS

IR

Vibrations