Geometry & MOs

Info

ID:	349321
PubChem CID:	127275108
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	4.79
IP(EA), eV:	-8.9(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopentyl-2-phenylpyrazol-3-yl)-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCN3CCCOC(C3)C

DOS

IR

Vibrations