Geometry & MOs

Info

ID:	405254
PubChem CID:	135073196
Reduced:	SeN2O4H28C29 (1)
Stoich.:	AB2C4D28E29 (1)
Weight, g/mol:	355.18173
ΔH_f, kcal/mol:	-86.08
Dipole, Da:	5.17
IP(EA), eV:	-9.17(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(benzenesulfonyl)heptyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@H]([C@H]([Se]2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations