Geometry & MOs

Info

ID:	222611
PubChem CID:	85305621
Reduced:	INSO3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-96.87
Dipole, Da:	5.98
IP(EA), eV:	-9.95(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[4-(3-methoxy-3-oxoprop-1-enyl)anilino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2CCOC2CI

DOS

IR

Vibrations