Geometry & MOs

Info

ID:	7136
PubChem CID:	71347
Reduced:	SN3O5C24H27 (1)
Stoich.:	AB3C5D24E27 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	6.21
IP(EA), eV:	-8.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[[(2R)-2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=C(C=C1)SCC2CO[C@](O2)(CN3C=CN=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations