Geometry & MOs

Info

ID:	218138
PubChem CID:	85088938
Reduced:	SN3O5C21H27 (1)
Stoich.:	AB3C5D21E27 (1)
Weight, g/mol:	433.257671
ΔH_f, kcal/mol:	-182.03
Dipole, Da:	5.15
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-3-yl N-[4-(4-butanoylpiperazin-1-yl)-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CSC(=N1)N(C)C(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations