Geometry & MOs

Info

ID:	237401
PubChem CID:	92719048
Reduced:	S2N3O5H21C22 (1)
Stoich.:	A2B3C5D21E22 (1)
Weight, g/mol:	394.152872
ΔH_f, kcal/mol:	-42.77
Dipole, Da:	4.23
IP(EA), eV:	-8.84(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 3-[(1,3-dioxoisoindol-2-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N(C)[C@@H](C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations