Geometry & MOs

Info

ID:	135376
PubChem CID:	51863299
Reduced:	NO3C11H16 (2)
Stoich.:	AB3C11D16 (2)
Weight, g/mol:	452.126963
ΔH_f, kcal/mol:	-307.69
Dipole, Da:	7.17
IP(EA), eV:	-9.59(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@@H](C1)C(=O)N[C@H]2CCCC[C@H]2NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C(=O)[O-]

DOS

IR

Vibrations