Geometry & MOs

Info

ID:	229205
PubChem CID:	87567172
Reduced:	O3C8H17 (2)
Stoich.:	A3B8C17 (2)
Weight, g/mol:	767.588448
ΔH_f, kcal/mol:	-330.91
Dipole, Da:	4.84
IP(EA), eV:	-9.96(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-aminoacetyl)-propan-2-yloxycarbonylamino]-5-(diaminomethylideneamino)-2,3-bis(tetradecanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)CCCO.C(CCOCCCCO)CO

DOS

IR

Vibrations