Geometry & MOs

Info

ID:	379207
PubChem CID:	134356754
Reduced:	SF2N9O10C44H63 (1)
Stoich.:	AB2C9D10E44F63 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-441.84
Dipole, Da:	6.44
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(5-formamidohexyl)carbamate

Drug info:

PubChemData

Smile

C1[C@@H](CS[C@H]1CCCCC(=O)NCCOCCOCCOCCOCCC(=O)NCC2=CN(N=N2)C3=CC=CC(=C3)C(=O)NC(CCCCN)C(=O)COC4=C(C=CC=C4F)F)NC(=O)N

DOS

IR

Vibrations