Geometry & MOs

Info

ID:	449936
PubChem CID:	135302704
Reduced:	NO2C7H13 (2)
Stoich.:	AB2C7D13 (2)
Weight, g/mol:	404.245727
ΔH_f, kcal/mol:	-208.14
Dipole, Da:	3.92
IP(EA), eV:	-10.05(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-methyl-3-[[3-methyl-3-(6-sulfanylhexanoylamino)butanoyl]amino]pentyl] N-aminocarbamate

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)OC/C=C/COC(=O)NC(C)C

DOS

IR

Vibrations