Geometry & MOs

Info

ID:	64027
PubChem CID:	26759711
Reduced:	SN4O5C23H26 (1)
Stoich.:	AB4C5D23E26 (1)
Weight, g/mol:	372.087685
ΔH_f, kcal/mol:	-134.67
Dipole, Da:	6.56
IP(EA), eV:	-9.15(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)CCC(=N2)C(=O)NC3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations