Geometry & MOs

Info

ID:	134206
PubChem CID:	51662224
Reduced:	S2N3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	401.086784
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	4.15
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[(3S)-1,1-dioxothiolan-3-yl]-5-thiophen-2-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1N2C(=CC(=N2)C(=O)NCC3=CC=CC=C3)C4=CC=CS4

DOS

IR

Vibrations