Geometry & MOs

Info

ID:	49325
PubChem CID:	11532853
Reduced:	FO2S2N3H22C24 (1)
Stoich.:	AB2C2D3E22F24 (1)
Weight, g/mol:	467.314792
ΔH_f, kcal/mol:	-37.56
Dipole, Da:	2.13
IP(EA), eV:	-8.51(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-ylheptan-2-yl)phenyl]phenyl]methyl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1)CNC(=S)NCC2=C3C=CC=CC3=CC4=CC=CC=C42)F

DOS

IR

Vibrations