Geometry & MOs

Info

ID:	440744
PubChem CID:	135231263
Reduced:	SO2N4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	3.61
IP(EA), eV:	-8.32(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(benzylamino)sulfanylphenyl]-3-(1H-pyrazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

COCCCNSC1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations