Geometry & MOs

Info

ID:	43172
PubChem CID:	10319019
Reduced:	ClNOC26H26 (1)
Stoich.:	ABCD26E26 (1)
Weight, g/mol:	403.285322
ΔH_f, kcal/mol:	18.32
Dipole, Da:	3.09
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-chloro-2-oxoheptadecan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=C(C=C2)Cl)CCC(C3=CC=C(C=C3)C4=CC=CC=C4)O

DOS

IR

Vibrations