Geometry & MOs

Info

ID:	308238
PubChem CID:	125324350
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	409.087846
ΔH_f, kcal/mol:	-19.58
Dipole, Da:	6.11
IP(EA), eV:	-8.71(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-2-[(3R)-1,1-dioxothiolan-3-yl]-5-phenyl-3,4-dihydropyrazol-3-yl]-4H-imidazole-5-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=C2C=CC=CC2=N1)C(=O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=O)C

DOS

IR

Vibrations