Geometry & MOs

Info

ID:

17147

PubChem CID:

485977

Reduced:

SN6O8C32H50 (1)

Stoich.:

AB6C8D32E50 (1)

Weight, g/mol:

678.341084

ΔHf, kcal/mol:

-359.35

Dipole, Da:

7.34

IP(EA), eV:

 -8.8(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-methylbutanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S)-2-(methoxyamino)-3-methylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@H]2C(=O)NC(=O)[C@H](C(C)C)NOC)(C)C)O)NC(=O)C

DOS

IR

Vibrations