Geometry & MOs

Info

ID:

311566

PubChem CID:

126593835

Reduced:

SN10O10C58H104 (1)

Stoich.:

AB10C10D58E104 (1)

Weight, g/mol:

412.304956

ΔHf, kcal/mol:

-526.99

Dipole, Da:

6.97

IP(EA), eV:

 -8.21(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N,4-dimethyl-2-[methyl-[(2R)-4-methyl-2-[methyl-[(2S)-2-(propanoylamino)propanoyl]amino]pentanoyl]amino]pentanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)N(C)[C@H](CSCCN(CC)CC)C(=O)N(C)[C@@H](CC(C)(C)OC)C(=O)N[C@@H](C(C)C(=C)C)C(=O)N(C)[C@H](CC(=C)C(C)C)C(=O)NC(=O)N[C@H](C)C(=O)NC)NC(=O)[C@H](C[C@H](C)C/C=C/C)N(C)C(=O)CC(C)C

DOS

IR

Vibrations