Geometry & MOs

Info

ID:	267041
PubChem CID:	103580515
Reduced:	NSO2C12H25 (1)
Stoich.:	ABC2D12E25 (1)
Weight, g/mol:	313.236542
ΔH_f, kcal/mol:	-126.6
Dipole, Da:	6.1
IP(EA), eV:	-8.83(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[2-[(5-amino-5-oxopentyl)amino]cyclopentyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CCNC1CCCC1(C)C

DOS

IR

Vibrations