Geometry & MOs

Info

ID:	296973
PubChem CID:	117603727
Reduced:	SO2N7C29H33 (1)
Stoich.:	AB2C7D29E33 (1)
Weight, g/mol:	191.090606
ΔH_f, kcal/mol:	45.47
Dipole, Da:	6.49
IP(EA), eV:	-8.79(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C3=NC=NC4=C3C=C(C=C4C)C5=NN=CC=C5)C=CC(=C2)S(=O)(=O)N(C)C6CCNCC6

DOS

IR

Vibrations