Geometry & MOs

Info

ID:	77449
PubChem CID:	49635605
Reduced:	SN2O3C23H26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	391.156577
ΔH_f, kcal/mol:	-57.01
Dipole, Da:	6.56
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethyl)-3-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-1-(thiophen-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)CCNC(=O)N(CCO)CC3=CSC=C3

DOS

IR

Vibrations