Geometry & MOs

Info

ID:	411128
PubChem CID:	135083938
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	678.959478
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	7.22
IP(EA), eV:	-9.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,8S)-6-benzyl-2-methyl-4,8-di(propan-2-yl)-1,3-bis(trichloromethylsulfonyl)-1,3,6,2-triazalumocane

Drug info:

PubChemData

Smile

C1CCC(CC1)N=C(C2=CC=CC=C2)N(C3CCCCC3)C(=O)O

DOS

IR

Vibrations