Geometry & MOs

Info

ID:	49758
PubChem CID:	11533734
Reduced:	F3N3O3C28H38 (1)
Stoich.:	A3B3C3D28E38 (1)
Weight, g/mol:	521.223594
ΔH_f, kcal/mol:	-256.15
Dipole, Da:	6.52
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-benzyl-4-(2-ethyl-2-formylhexyl)sulfonylphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)OCCNC(C)COC)C(C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations