Geometry & MOs

Info

ID:	244528
PubChem CID:	99360968
Reduced:	SO3N5C20H29 (1)
Stoich.:	AB3C5D20E29 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	-85.02
Dipole, Da:	11.15
IP(EA), eV:	-8.5(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(3-methylsulfanylphenyl)urea

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCC(=O)NCC(C)(C)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations