Geometry & MOs

Info

ID:	66081
PubChem CID:	46491040
Reduced:	N3O5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	437.21147
ΔH_f, kcal/mol:	-204.39
Dipole, Da:	6.86
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 3-[[2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCCN2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C

DOS

IR

Vibrations