Geometry & MOs

Info

ID:	185064
PubChem CID:	77250772
Reduced:	F2N2O6C25H32 (1)
Stoich.:	A2B2C6D25E32 (1)
Weight, g/mol:	404.194737
ΔH_f, kcal/mol:	-335.3
Dipole, Da:	1.35
IP(EA), eV:	-9.12(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[carbamoyl(propyl)amino]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid

Drug info:

PubChemData

Smile

CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CC(CCN3CCCC3)C(=O)O)NC(=O)C(F)F

DOS

IR

Vibrations