Geometry & MOs

Info

ID:	379182
PubChem CID:	134356486
Reduced:	F2O3N9C36H39 (1)
Stoich.:	A2B3C9D36E39 (1)
Weight, g/mol:	433.181313
ΔH_f, kcal/mol:	12.8
Dipole, Da:	1.48
IP(EA), eV:	-8.13(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[(3S)-7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)CNCC3=CC(=C(C(=C3)F)OCC(=O)C(CCCCN)NC(=O)C4=CC(=CC=C4)N=[N+]=[N-])F

DOS

IR

Vibrations