Geometry & MOs

Info

ID:	178513
PubChem CID:	76340067
Reduced:	SN3O4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	389.07389
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	8.77
IP(EA), eV:	-7.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-bromo-2-methoxyphenyl)methyl]-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C=CC4=CC=CC=C4

DOS

IR

Vibrations