Geometry & MOs

Info

ID:	36940
PubChem CID:	8015114
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	8.65
Dipole, Da:	3.83
IP(EA), eV:	-8.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations