Geometry & MOs

Info

ID:	124836
PubChem CID:	50898161
Reduced:	SN2O5C24H30 (1)
Stoich.:	AB2C5D24E30 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-160.77
Dipole, Da:	6.47
IP(EA), eV:	-8.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-methyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations