Geometry & MOs

Info

ID:	438602
PubChem CID:	135228346
Reduced:	O3N4C21H42 (1)
Stoich.:	A3B4C21D42 (1)
Weight, g/mol:	344.278741
ΔH_f, kcal/mol:	-200.87
Dipole, Da:	2.55
IP(EA), eV:	-9.2(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(4R)-1-[[amino(hydroxy)methyl]amino]-6-methyl-5-oxoheptan-4-yl]-3-methyl-2-(propan-2-ylamino)butanamide

Drug info:

PubChemData

Smile

CCCCC(CCCC)C(=O)[C@@H](CCCNC(=O)N)NC(=O)C(C(C)C)NC

DOS

IR

Vibrations