Geometry & MOs

Info

ID:	61852
PubChem CID:	26714212
Reduced:	BrClSN2O2H16C19 (1)
Stoich.:	ABCD2E2F16G19 (1)
Weight, g/mol:	443.991
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	1.98
IP(EA), eV:	-8.88(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)CNC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations