Geometry & MOs

Info

ID:	139784
PubChem CID:	52594870
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-174.08
Dipole, Da:	7.36
IP(EA), eV:	-9.23(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-1,1-dioxothiolan-3-yl]-3-(1-phenylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=C(C=C2)OCCOC

DOS

IR

Vibrations