Geometry & MOs

Info

ID:	264728
PubChem CID:	103486376
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	310.171499
ΔH_f, kcal/mol:	-122.22
Dipole, Da:	2.5
IP(EA), eV:	-8.6(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[cycloheptyl(methyl)amino]-1,3-thiazol-4-yl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CSC(=N1)N(C)C2CCOCC2

DOS

IR

Vibrations