Geometry & MOs

Info

ID:	448907
PubChem CID:	135294425
Reduced:	OSN5C28H43 (1)
Stoich.:	ABC5D28E43 (1)
Weight, g/mol:	532.31956
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	9.79
IP(EA), eV:	-8.59(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[ethanimidoyl(2-methylpropanimidoyl)amino]hex-1-en-2-yl-methylamino]-1-(5-nitrothiophen-2-yl)propyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)[C@H](CCN(C=C)C2CCC(C2)N3C(=NN=C3C(C)C)C)NC(=O)C4CCCCC4

DOS

IR

Vibrations