Geometry & MOs

Info

ID:	139661
PubChem CID:	52576202
Reduced:	N3O4H25C26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	428.08699
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	3.54
IP(EA), eV:	-8.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[(2S)-1-[(3,5-difluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1COC[C@@H](CN2C(=O)N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations