Geometry & MOs

Info

ID:	83860
PubChem CID:	49861919
Reduced:	O2N3C27H47 (1)
Stoich.:	A2B3C27D47 (1)
Weight, g/mol:	386.227768
ΔH_f, kcal/mol:	-117.48
Dipole, Da:	3.55
IP(EA), eV:	-8.48(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-5-[[amino(nitramido)methylidene]amino]pentanoate

Drug info:

PubChemData

Smile

CN(C)CCN1CCN2C3CC(CCC3C(C2C4C1CCCC4)C5CCCCC5)C(=O)O

DOS

IR

Vibrations