Geometry & MOs

Info

ID:

419828

PubChem CID:

135109201

Reduced:

ON4C17H24 (1)

Stoich.:

AB4C17D24 (1)

Weight, g/mol:

561.258734

ΔHf, kcal/mol:

-0.33

Dipole, Da:

3.84

IP(EA), eV:

 -8.45(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-[2-methyl-5-(2-methylpropyl)pyrazole-3-carbonyl]-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CN(C)CCC2=CN(N=C2)C

DOS

IR

Vibrations