Geometry & MOs

Info

ID:	306264
PubChem CID:	125003389
Reduced:	ClN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	471.236936
ΔH_f, kcal/mol:	-44.73
Dipole, Da:	3.74
IP(EA), eV:	-9.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-methoxycarbonylphenyl)-3-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC=N1)C(=O)N2CCC[C@@H]2C3=NC=C(O3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations