Geometry & MOs

Info

ID:	345666
PubChem CID:	127269966
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	351.198048
ΔH_f, kcal/mol:	14.48
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=CSC=C2)C(=O)NC3(CCCCC3)C4=NOC(=N4)C

DOS

IR

Vibrations