Geometry & MOs

Info

ID:	73442
PubChem CID:	48417708
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	396.171689
ΔH_f, kcal/mol:	-49.27
Dipole, Da:	4.12
IP(EA), eV:	-8.2(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCC(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations