Geometry & MOs

Info

ID:	135400
PubChem CID:	51866748
Reduced:	SN2O4C23H32 (1)
Stoich.:	AB2C4D23E32 (1)
Weight, g/mol:	410.187339
ΔH_f, kcal/mol:	-134.09
Dipole, Da:	6.33
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NCCCCN2CCO[C@H](C2)C3=CC=CC=C3)C

DOS

IR

Vibrations