Geometry & MOs

Info

ID:	258880
PubChem CID:	103157321
Reduced:	SN2O3C14H28 (1)
Stoich.:	AB2C3D14E28 (1)
Weight, g/mol:	260.173607
ΔH_f, kcal/mol:	-167.57
Dipole, Da:	4.84
IP(EA), eV:	-9.2(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(aminomethyl)-4-methylpentanoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)NCC(CC2CCCC2)O

DOS

IR

Vibrations