Geometry & MOs

Info

ID:	135064
PubChem CID:	51806429
Reduced:	SN2O4C28H40 (1)
Stoich.:	AB2C4D28E40 (1)
Weight, g/mol:	513.19909
ΔH_f, kcal/mol:	-172.85
Dipole, Da:	8.34
IP(EA), eV:	-9.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[2-(4-bromophenyl)acetyl]-propylamino]-N-cyclohexyl-2-[4-(dimethylamino)phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN([C@@H](C(CC)CC)C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)C(=O)[C@H](CC)C2=CC=CC=C2

DOS

IR

Vibrations