Geometry & MOs

Info

ID:	33153
PubChem CID:	7885189
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-91.94
Dipole, Da:	6.07
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC2=CSC(=N2)C)C

DOS

IR

Vibrations