Geometry & MOs

Info

ID:	177205
PubChem CID:	76147393
Reduced:	NSO3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	371.082744
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	2.67
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methylcarbamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=C(S2)C(C3=CC=CO3)O

DOS

IR

Vibrations