Geometry & MOs

Info

ID:	217925
PubChem CID:	85088599
Reduced:	O3N4C23H32 (1)
Stoich.:	A3B4C23D32 (1)
Weight, g/mol:	412.279804
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	7.68
IP(EA), eV:	-9.39(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-formamido-4-methylpentanamide

Drug info:

PubChemData

Smile

CCON(C1CCCCC1)C(=O)C2=CCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

DOS

IR

Vibrations