Geometry & MOs

Info

ID:	268216
PubChem CID:	103598438
Reduced:	SO2N5H17C18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	49.88
Dipole, Da:	2.46
IP(EA), eV:	-8.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-diphenylpyrazol-4-yl)prop-2-enoylamino]-3-methylurea

Drug info:

PubChemData

Smile

CNC(=O)NNC(=O)C=CC1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

DOS

IR

Vibrations