Geometry & MOs

Info

ID:	440833
PubChem CID:	135231743
Reduced:	SN2O5C30H54 (1)
Stoich.:	AB2C5D30E54 (1)
Weight, g/mol:	474.277696
ΔH_f, kcal/mol:	-303.58
Dipole, Da:	0.76
IP(EA), eV:	-9.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-cyclohexyl-N-[4-[4-[2-[(2-nitrophenyl)sulfanylamino]ethyl]imidazol-1-yl]butyl]propane-1,3-diamine

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC(=O)N1CCC(CC1)C(=O)O)/C

DOS

IR

Vibrations