Geometry & MOs

Info

ID:	181642
PubChem CID:	76768058
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-143.47
Dipole, Da:	4.08
IP(EA), eV:	-9.13(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-4-hydroxy-3-oxobutan-2-yl)-4-[2-[4-[[2-(dimethylamino)acetyl]amino]phenyl]ethynyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCCCC(=O)NC(CN)C(=O)CO

DOS

IR

Vibrations