Geometry & MOs

Info

ID:	138606
PubChem CID:	52393281
Reduced:	N2O7C17H21 (1)
Stoich.:	A2B7C17D21 (1)
Weight, g/mol:	366.142701
ΔH_f, kcal/mol:	-241.3
Dipole, Da:	10.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859486
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CC(=O)N2CCOC[C@H]2CC(=O)[O-])OC

DOS

IR

Vibrations