Geometry & MOs

Info

ID:	244222
PubChem CID:	99319465
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-64.08
Dipole, Da:	7.88
IP(EA), eV:	-8.66(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetyl]piperidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)N[C@@H]1CCCN(C1)C(=O)C2=CC(=NC3=C2C(=NN3C)C)C(C)C

DOS

IR

Vibrations