Geometry & MOs

Info

ID:	157121
PubChem CID:	56422160
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-140.75
Dipole, Da:	3.96
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)N3CCCCC3C4OCCO4

DOS

IR

Vibrations