Geometry & MOs

Info

ID:	145703
PubChem CID:	53578012
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	5.27
Dipole, Da:	2.52
IP(EA), eV:	-8.16(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[cyclopropyl-(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CSC=C2)CC(=O)NC3=CN=C(C=C3)N(C)C

DOS

IR

Vibrations