Geometry & MOs

Info

ID:	63900
PubChem CID:	26759444
Reduced:	NSO5C25H25 (1)
Stoich.:	ABC5D25E25 (1)
Weight, g/mol:	407.113565
ΔH_f, kcal/mol:	-139.68
Dipole, Da:	4.2
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1SC2=CC=CC=C2)OC(=O)CC3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations