Geometry & MOs

Info

ID:	219078
PubChem CID:	85090454
Reduced:	ClSN3O4H26C29 (1)
Stoich.:	ABC3D4E26F29 (1)
Weight, g/mol:	547.197934
ΔH_f, kcal/mol:	-80.1
Dipole, Da:	7.38
IP(EA), eV:	-9.12(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[benzyl-(2-chloro-2-phenylsulfanylacetyl)amino]-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CSC1C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations