Geometry & MOs

Info

ID:	245645
PubChem CID:	99455755
Reduced:	SO2N4C22H32 (1)
Stoich.:	AB2C4D22E32 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-64.94
Dipole, Da:	3.99
IP(EA), eV:	-8.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations