Geometry & MOs

Info

ID:

425641

PubChem CID:

135127104

Reduced:

N5O6C31H59 (1)

Stoich.:

A5B6C31D59 (1)

Weight, g/mol:

551.441055

ΔHf, kcal/mol:

-340.15

Dipole, Da:

3.1

IP(EA), eV:

 -9.28(0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-N,3-dimethyl-N-[(4R)-5-methyl-1-[(2S)-2-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]pyrrolidin-1-yl]-1-oxoheptan-4-yl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NC)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)C(C(C)C)NC

DOS

IR

Vibrations