Geometry & MOs

Info

ID:	305472
PubChem CID:	124955782
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-23.27
Dipole, Da:	6.77
IP(EA), eV:	-8.8(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N,N,2-trimethyl-4-(6-pyrimidin-5-ylpyridine-3-carbonyl)morpholine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C(=N1)[C@@H]2CN(CCO2)C(=O)C3=CSC=C3)C

DOS

IR

Vibrations