Geometry & MOs

Info

ID:	398385
PubChem CID:	135033042
Reduced:	BrON2H17C18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	438.255229
ΔH_f, kcal/mol:	3.16
Dipole, Da:	6.27
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4-methylphenyl)sulfonyl-[(E)-undec-6-en-5-yl]amino]carbamate

Drug info:

PubChemData

Smile

C1CCC2(C1)NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br

DOS

IR

Vibrations