Geometry & MOs

Info

ID:	134995
PubChem CID:	51794898
Reduced:	ClN2O2C24H31 (1)
Stoich.:	AB2C2D24E31 (1)
Weight, g/mol:	508.189563
ΔH_f, kcal/mol:	-101.21
Dipole, Da:	3.14
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-chloro-N-(2-chloroacetyl)anilino)-2-(3,4-dimethoxyphenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)N(C1=CC(=CC=C1)Cl)[C@@H](C2=C(C=C(C=C2)C)C)C(=O)NC(C)(C)C

DOS

IR

Vibrations