Geometry & MOs

Info

ID:	138773
PubChem CID:	52424326
Reduced:	O2S2N3H21C23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	446.115642
ΔH_f, kcal/mol:	31.77
Dipole, Da:	5.96
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfanylmethyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)SCC3=CC=C(O3)C(=O)NCC4=CC=NC=C4)C

DOS

IR

Vibrations