Geometry & MOs

Info

ID:	405154
PubChem CID:	135072791
Reduced:	NSO5C15H19 (1)
Stoich.:	ABC5D15E19 (1)
Weight, g/mol:	395.188529
ΔH_f, kcal/mol:	-160.49
Dipole, Da:	4.63
IP(EA), eV:	-9.45(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(3-phenylprop-2-ynyl)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCC2=CCCCC2

DOS

IR

Vibrations