Geometry & MOs

Info

ID:	376113
PubChem CID:	134222116
Reduced:	SN2O5C22H24 (1)
Stoich.:	AB2C5D22E24 (1)
Weight, g/mol:	524.117271
ΔH_f, kcal/mol:	-178.67
Dipole, Da:	5.76
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[[amino-[2-[4-[2-(2-chlorophenyl)-2-oxoethoxy]phenyl]ethylsulfanyl]methylidene]amino]-3-oxopropanoate

Drug info:

PubChemData

Smile

CCC1=CN=C(C=C1)[C@@H](CC(=O)OC)COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3

DOS

IR

Vibrations