Geometry & MOs

Info

ID:	33244
PubChem CID:	7885611
Reduced:	OS2N3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	403.163102
ΔH_f, kcal/mol:	37.15
Dipole, Da:	1.64
IP(EA), eV:	-8.79(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-[(4-butoxybenzoyl)amino]acetyl]oxymethyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)CC3=NC4=CC=CC=C4S3)C

DOS

IR

Vibrations