Geometry & MOs

Info

ID:	326985
PubChem CID:	126688800
Reduced:	NO3C16H22 (4)
Stoich.:	AB3C16D22 (4)
Weight, g/mol:	164.029586
ΔH_f, kcal/mol:	-488.66
Dipole, Da:	9.65
IP(EA), eV:	-8.21(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylthiophen-3-yl)furan

Drug info:

Smile

CC1=C(C(CC(C1=O)OC(=O)CNC(=O)NCC2(CCCCC2)CC(=O)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C3=C(C(=O)C(CC3(C)C)OC(=O)CNC(=O)NCC4(CCCCC4)CC(=O)O)C)\C)\C)/C)/C

DOS

IR

Vibrations