Geometry & MOs

Info

ID:	248550
PubChem CID:	103082537
Reduced:	SO2N3C17H29 (1)
Stoich.:	AB2C3D17E29 (1)
Weight, g/mol:	314.256943
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	3.76
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]cycloheptyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC2CCCCCC2NC(=O)OC(C)(C)C

DOS

IR

Vibrations