Geometry & MOs

Info

ID:	177271
PubChem CID:	76158761
Reduced:	SN3O6C20H31 (1)
Stoich.:	AB3C6D20E31 (1)
Weight, g/mol:	472.248584
ΔH_f, kcal/mol:	-242.99
Dipole, Da:	6.15
IP(EA), eV:	-8.7(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-(8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl)urea

Drug info:

PubChemData

Smile

CC1CN(C(COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(CC1OC)C)C)S(=O)(=O)C

DOS

IR

Vibrations