Geometry & MOs

Info

ID:

189114

PubChem CID:

77819172

Reduced:

SN4O5C41H48 (1)

Stoich.:

AB4C5D41E48 (1)

Weight, g/mol:

568.398856

ΔHf, kcal/mol:

-125.47

Dipole, Da:

10.01

IP(EA), eV:

 -8.51(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-cyclopropyl-5-N-(2,2-dimethyl-3-oxo-4-pentyl-1,4-benzoxazin-6-yl)-3-N-(2-methylheptan-4-yl)piperidine-3,5-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(C(C1)CC2=CC=CC=C2)C(=O)C3=C(N(C=N3)C4CCCCC(C4=O)CC5=CC=C(C=C5)S(=O)C)C6=CC=CC=C6

DOS

IR

Vibrations