Geometry & MOs

Info

ID:	35845
PubChem CID:	7980397
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	405.134301
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	6.09
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(4-butoxy-3-chloro-5-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NC=CS2)C)C(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations