Geometry & MOs

Info

ID:

423169

PubChem CID:

135119045

Reduced:

OSN2C20H26 (1)

Stoich.:

ABC2D20E26 (1)

Weight, g/mol:

633.296262

ΔHf, kcal/mol:

-10.47

Dipole, Da:

4.53

IP(EA), eV:

 -8.48(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6S)-13-[2-(3-fluorophenyl)acetyl]-22-methoxy-5-(1-methylpyrrole-2-carbonyl)-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

CC1=C(C(=CS1)C(=O)N2CCCN(CC2)C(C)C)C3=CC=CC=C3

DOS

IR

Vibrations