Geometry & MOs

Info

ID:	235991
PubChem CID:	92711316
Reduced:	ClSN3O3C24H26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-83.88
Dipole, Da:	9.27
IP(EA), eV:	-8.51(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethylcarbamoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)NCC3=C(N(C(=C3)C)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations