Geometry & MOs

Info

ID:	244278
PubChem CID:	99319653
Reduced:	SN3O3C18H25 (1)
Stoich.:	AB3C3D18E25 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-92.89
Dipole, Da:	5.64
IP(EA), eV:	-9.36(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)C1=C(N(N=C1)C2=CC=CC=C2)C

DOS

IR

Vibrations