Geometry & MOs

Info

ID:	311157
PubChem CID:	126589653
Reduced:	NS2O4C30H33 (1)
Stoich.:	AB2C4D30E33 (1)
Weight, g/mol:	183.137162
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	3.37
IP(EA), eV:	-9.04(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoprop-2-enyl)-2-(but-1-en-2-ylamino)acetamide

Drug info:

PubChemData

Smile

CC1(CCC=C1C2=C(SC=C2COC3=CC=CC(=C3)C(CC(=O)O)SC4CC4)C5=CC(=NC=C5)OC)C

DOS

IR

Vibrations