Geometry & MOs

Info

ID:	48262
PubChem CID:	10538452
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	5.14
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E)-2-phenylbut-2-enyl]carbamate

Drug info:

PubChemData

Smile

CC1(C2=C(CNC3=CC=CC=C3S2)C(=O)O1)C

DOS

IR

Vibrations