Geometry & MOs

Info

ID:

190992

PubChem CID:

78091937

Reduced:

ClF4N7O7C31H32 (1)

Stoich.:

AB4C7D7E31F32 (1)

Weight, g/mol:

428.246378

ΔHf, kcal/mol:

-424.68

Dipole, Da:

5.06

IP(EA), eV:

 -9.42(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-(cyclopropylmethyl)-5-phenyl-21-oxa-5,20-diazahexacyclo[8.7.3.13,9.01,9.02,6.012,17]henicosa-12(17),13,15-trien-15-ol

Drug info:

PubChemData

Smile

CC1CCCC(C2CC(CC(=O)N2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)NC(=O)C4=CN(N=N4)C5=C(C(=CC=C5)Cl)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations