Geometry & MOs

Info

ID:

419265

PubChem CID:

135107868

Reduced:

NO3F4C19H21 (1)

Stoich.:

AB3C4D19E21 (1)

Weight, g/mol:

490.185235

ΔHf, kcal/mol:

-312.67

Dipole, Da:

6.41

IP(EA), eV:

 -9.56(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-13-methoxy-5-(1H-pyrrole-2-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=CC2(CCN(CC2)C(=O)C3=CC=CC=C3OC(C(F)F)(F)F)OCC1

DOS

IR

Vibrations