Geometry & MOs

Info

ID:	139527
PubChem CID:	52549752
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	474.150781
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	1.42
IP(EA), eV:	-8.37(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-[[4-(furan-2-ylmethyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCC1=CC(=C(C=C1)OC)OC)OC(=O)C2=C3C=CC=NC3=CC=C2

DOS

IR

Vibrations