Geometry & MOs

Info

ID:	448895
PubChem CID:	135294370
Reduced:	OSN6C23H34 (1)
Stoich.:	ABC6D23E34 (1)
Weight, g/mol:	530.340296
ΔH_f, kcal/mol:	20.55
Dipole, Da:	10.83
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CS4)NC(CC#N)O)C(C)C

DOS

IR

Vibrations