Geometry & MOs

Info

ID:	36701
PubChem CID:	8011486
Reduced:	O3H8C9 (2)
Stoich.:	A3B8C9 (2)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	2.53
IP(EA), eV:	-8.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-N-[2-[(5-methylfuran-2-yl)methyl]pyrazol-3-yl]-2-[(2-phenylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)OCC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations