Geometry & MOs

Info

ID:	137911
PubChem CID:	52282856
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-5.26
Dipole, Da:	4.32
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

COC1=C2CN(C[C@@H](C2=C(C=C1)OC)O)CC3=NN(N=C3)C4=CC=CC=C4

DOS

IR

Vibrations