Geometry & MOs

Info

ID:	440797
PubChem CID:	135231499
Reduced:	FO2N5H18C22 (1)
Stoich.:	AB2C5D18E22 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	62.38
Dipole, Da:	5.93
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-methylpiperazin-1-yl)sulfinylphenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=NC(=C3C/C(=C(\C(=O)C4=CC=C(C=C4)F)/N)/N2N)C#C

DOS

IR

Vibrations