Geometry & MOs

Info

ID:	440846
PubChem CID:	135231850
Reduced:	O3N6C14H30 (1)
Stoich.:	A3B6C14D30 (1)
Weight, g/mol:	510.323977
ΔH_f, kcal/mol:	-144.45
Dipole, Da:	3.4
IP(EA), eV:	-8.62(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-(aminomethyl)-1,3-thiazol-4-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate

Drug info:

PubChemData

Smile

CNCCCN(C)CCCNC(=O)CNC(=O)CNC(=O)CN

DOS

IR

Vibrations