Geometry & MOs

Info

ID:	134833
PubChem CID:	51765885
Reduced:	FO2N3C31H46 (1)
Stoich.:	AB2C3D31E46 (1)
Weight, g/mol:	529.270735
ΔH_f, kcal/mol:	-149.47
Dipole, Da:	3.44
IP(EA), eV:	-8.18(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-chlorophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-hexyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

CCCCCCN([C@@H](C1=CC=C(C=C1)N(C)C)C(=O)NC(C)(C)CC(C)(C)C)C(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations