Geometry & MOs

Info

ID:

315220

PubChem CID:

126625104

Reduced:

SN6O7C37H56 (1)

Stoich.:

AB6C7D37E56 (1)

Weight, g/mol:

758.367299

ΔHf, kcal/mol:

-332.22

Dipole, Da:

11.43

IP(EA), eV:

 -8.4(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-(4-nitrophenyl)pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@H](C[C@H](C1=NC(=CS1)C(=O)N[C@@H](CC2=CC=C(C=C2)N)C[C@@H](C)C(=O)O)OC(=O)C)C(C)C)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations