Geometry & MOs

Info

ID:	138605
PubChem CID:	52392749
Reduced:	OSN2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	365.134876
ΔH_f, kcal/mol:	-35.61
Dipole, Da:	3.11
IP(EA), eV:	-8.85(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(3R)-4-[3-(2,4-dimethoxyanilino)-3-oxopropanoyl]morpholin-3-yl]acetate

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CC=NC=C1)C(=O)CCSC

DOS

IR

Vibrations