Geometry & MOs

Info

ID:	415253
PubChem CID:	135088245
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	657.332648
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	2.76
IP(EA), eV:	-8.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,7S,10R)-4-benzyl-17-(2-fluorobenzoyl)-10-methyl-7-(2-methylpropyl)-3,6,9,12,17-pentazabicyclo[17.2.2]tricosa-1(21),19,22-triene-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(C)C2C[C@@H]3CC(C[C@@H]3C2)O

DOS

IR

Vibrations