Geometry & MOs

Info

ID:	151366
PubChem CID:	53801146
Reduced:	OC9H16 (4)
Stoich.:	AB9C16 (4)
Weight, g/mol:	518.321668
ΔH_f, kcal/mol:	-270.3
Dipole, Da:	7.43
IP(EA), eV:	-9.24(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCC(CCCCCC=CCC=CCCCCCCCC(=O)O)C(=O)O

DOS

IR

Vibrations