Geometry & MOs

Info

ID:	332455
PubChem CID:	127250741
Reduced:	SN4O4C20H30 (1)
Stoich.:	AB4C4D20E30 (1)
Weight, g/mol:	448.139211
ΔH_f, kcal/mol:	-110.76
Dipole, Da:	6.18
IP(EA), eV:	-8.88(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazol-3-yl]morpholine-4-sulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)OCCC2=CC(=NN2)C3CN(CCO3)S(=O)(=O)N(C)C

DOS

IR

Vibrations