Geometry & MOs

Info

ID:	44478
PubChem CID:	10503698
Reduced:	SiO2N3C26H35 (1)
Stoich.:	AB2C3D26E35 (1)
Weight, g/mol:	449.313268
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	4.05
IP(EA), eV:	-8.25(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[N'-[(4S)-5-(decylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentyl]carbamimidoyl]azanium;chloride

Drug info:

PubChemData

Smile

CCCC(=O)N1[C@H]2CC3=C([C@@H]1CC(=C2C#N)O[Si](C)(C)C(C)(C)C)N(C4=CC=CC=C34)C

DOS

IR

Vibrations