Geometry & MOs

Info

ID:	1721
PubChem CID:	4941
Reduced:	O4N6C21H40 (1)
Stoich.:	A4B6C21D40 (1)
Weight, g/mol:	440.311104
ΔH_f, kcal/mol:	-213.03
Dipole, Da:	3.79
IP(EA), eV:	-9.12(-0.12)
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]-4-methyl-2-(propanoylamino)pentanamide

Drug info:

PubChemData

Smile

CCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O

DOS

IR

Vibrations