Geometry & MOs

Info

ID:	440731
PubChem CID:	135231146
Reduced:	ON7C28H35 (1)
Stoich.:	AB7C28D35 (1)
Weight, g/mol:	352.11063
ΔH_f, kcal/mol:	79.81
Dipole, Da:	12.2
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyridin-4-ylmethyl)-3-[4-(pyrimidin-2-ylamino)sulfanylphenyl]urea

Drug info:

PubChemData

Smile

CN=CC1(CCC1)CN2C(=O)N(CC23CCC(CC3)(C4=CC=CC=C4)N(C)C)C5=CN=C(N=C5)C#N

DOS

IR

Vibrations