Geometry & MOs

Info

ID:	430907
PubChem CID:	135170977
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	34.02
Dipole, Da:	6.43
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S)-3-[benzoyl(ethyl)amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=NN=C(S2)C)C(=O)C3=CC4=C(N3)C=CC=N4

DOS

IR

Vibrations