Geometry & MOs

Info

ID:	156147
PubChem CID:	56369323
Reduced:	SO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	429.252861
ΔH_f, kcal/mol:	-7.77
Dipole, Da:	0.53
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-[(2-phenylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(=O)NCC3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations