Geometry & MOs

Info

ID:	36860
PubChem CID:	8013853
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	419.184506
ΔH_f, kcal/mol:	-85.72
Dipole, Da:	5.88
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]amino]-1-oxopropan-2-yl] 9H-xanthene-9-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C(=CC=N1)NC(=O)[C@@H](C)OC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

DOS

IR

Vibrations