Geometry & MOs

Info

ID:	62120
PubChem CID:	26717631
Reduced:	SCl2N2O2H16C18 (1)
Stoich.:	AB2C2D2E16F18 (1)
Weight, g/mol:	364.074533
ΔH_f, kcal/mol:	-65.49
Dipole, Da:	5.26
IP(EA), eV:	-9.08(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(1R)-1-(3,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2

DOS

IR

Vibrations