Geometry & MOs

Info

ID:	235398
PubChem CID:	92708371
Reduced:	SN3O4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	421.247775
ΔH_f, kcal/mol:	-81.59
Dipole, Da:	3.23
IP(EA), eV:	-8.73(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-[[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC(=CC(=C1)OC)OC)SC2=NC3=C(O2)C=CC=N3

DOS

IR

Vibrations