Geometry & MOs

Info

ID:	145731
PubChem CID:	53583321
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	5.0
IP(EA), eV:	-9.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(thiadiazol-4-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)NCCC2=CC=CC=C2Cl

DOS

IR

Vibrations