Geometry & MOs

Info

ID:	133347
PubChem CID:	51512218
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	468.200885
ΔH_f, kcal/mol:	-158.79
Dipole, Da:	5.3
IP(EA), eV:	-9.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-[(2R)-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxopropan-2-yl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)CCN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations