Geometry & MOs

Info

ID:	244529
PubChem CID:	99360990
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	426.263091
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	3.93
IP(EA), eV:	-8.3(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-propan-2-yloxyphenyl)urea

Drug info:

PubChemData

Smile

CN1CCN(CC1)C[C@@H](C2=CC=C(C=C2)OC)NC(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations