Geometry & MOs

Info

ID:	134654
PubChem CID:	51734600
Reduced:	ClN2O3C25H27 (1)
Stoich.:	AB2C3D25E27 (1)
Weight, g/mol:	412.11654
ΔH_f, kcal/mol:	-76.34
Dipole, Da:	3.38
IP(EA), eV:	-9.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-tert-butyl-2-(3-chloro-N-formylanilino)-2-[4-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)[C@H](C(=O)NC(C)(C)C)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=CO3

DOS

IR

Vibrations