Geometry & MOs

Info

ID:	139631
PubChem CID:	52572607
Reduced:	ClOS2N3C19H20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	281.118257
ΔH_f, kcal/mol:	15.71
Dipole, Da:	6.33
IP(EA), eV:	-9.02(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-ethoxyacetamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1Cl)C(=O)CSC2=NC=NC3=C2C(=C(S3)C)C

DOS

IR

Vibrations