Geometry & MOs

Info

ID:

423970

PubChem CID:

135120897

Reduced:

ClFO2N3C17H19 (1)

Stoich.:

ABC2D3E17F19 (1)

Weight, g/mol:

481.178376

ΔHf, kcal/mol:

-101.88

Dipole, Da:

5.96

IP(EA), eV:

 -9.31(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,8S)-6-(3-thiophen-3-ylpropanoyl)-9,18-dioxa-3,6,12,13,14-pentazatetracyclo[17.3.1.111,14.04,8]tetracosa-1(23),11(24),12,19,21-pentaen-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NNC(=C3)C)Cl

DOS

IR

Vibrations