Geometry & MOs

Info

ID:

379694

PubChem CID:

134458341

Reduced:

SN5O9C42H63 (1)

Stoich.:

AB5C9D42E63 (1)

Weight, g/mol:

285.241627

ΔHf, kcal/mol:

-409.98

Dipole, Da:

7.53

IP(EA), eV:

 -9.08(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-3-methyl-N-[2-[methyl(3-methylbutan-2-yl)amino]-2-oxoethyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations