Geometry & MOs

Info

ID:

415872

PubChem CID:

135088874

Reduced:

ON4C17H28 (1)

Stoich.:

AB4C17D28 (1)

Weight, g/mol:

637.25702

ΔHf, kcal/mol:

-4.14

Dipole, Da:

4.0

IP(EA), eV:

 -8.82(0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-22-methoxy-5-(2-thiophen-2-ylacetyl)-2-oxa-5,8,13,17-tetrazatricyclo[17.3.1.13,6]tetracosa-1(22),19(23),20-triene-7,18-dione

Drug info:

PubChemData

Smile

CCCC1=CC=C(O1)CN(CCN(C)C)CC2=CN=C(N2)C

DOS

IR

Vibrations