Geometry & MOs

Info

ID:	158963
PubChem CID:	57244306
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-152.4
Dipole, Da:	5.72
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-fluorophenyl)-2-methylbutan-2-yl] 2-amino-2-(3-amino-2-methyl-2H-1,4-benzoxazin-6-yl)acetate

Drug info:

PubChemData

Smile

C[C@H](CC1=CN(C=N1)C(=O)OC)NC(=O)[C@H](CC2=CC=CC=C2)CC(=O)C(C)(C)C

DOS

IR

Vibrations