Geometry & MOs

Info

ID:	134205
PubChem CID:	51662201
Reduced:	S2N3O3C16H21 (1)
Stoich.:	A2B3C3D16E21 (1)
Weight, g/mol:	401.086784
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	5.14
IP(EA), eV:	-9.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)C1=NN(C(=C1)C2=CC=CS2)[C@@H]3CCS(=O)(=O)C3

DOS

IR

Vibrations