Geometry & MOs

Info

ID:	243822
PubChem CID:	99239870
Reduced:	S2N3O3C15H19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	439.08954
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	6.52
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC=C(S1)C(=O)N[C@@H](C)C2=CC(=CC=C2)NS(=O)(=O)C

DOS

IR

Vibrations