Geometry & MOs

Info

ID:	63321
PubChem CID:	26750604
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-70.39
Dipole, Da:	6.44
IP(EA), eV:	-8.91(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCNC(=O)CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

DOS

IR

Vibrations