Geometry & MOs

Info

ID:	32909
PubChem CID:	7849371
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-48.5
Dipole, Da:	1.47
IP(EA), eV:	-8.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)COC(=O)/C=C/C3=CC=CC=C3C)C

DOS

IR

Vibrations