Geometry & MOs

Info

ID:

395418

PubChem CID:

135025404

Reduced:

SN4O5C23H36 (1)

Stoich.:

AB4C5D23E36 (1)

Weight, g/mol:

683.371656

ΔHf, kcal/mol:

-206.98

Dipole, Da:

7.29

IP(EA), eV:

 -9.3(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S,4R)-2-methyl-4-[[2-[(2R,4S)-4-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]oxan-2-yl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C)[C@H]1CCO[C@H](C1)C2=NC(=CS2)C(=O)O)NC(=O)[C@H]3CCCCN3C

DOS

IR

Vibrations