Geometry & MOs

Info

ID:	188831
PubChem CID:	77772481
Reduced:	O2N8C19H20 (1)
Stoich.:	A2B8C19D20 (1)
Weight, g/mol:	556.164411
ΔH_f, kcal/mol:	62.06
Dipole, Da:	11.66
IP(EA), eV:	-9.12(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2,2-bis(chloromethyl)cyclopropanecarbonyl]amino]-3-[4-[(4-cyano-4-phenylpiperidine-1-carbonyl)amino]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1C(C(NN1)C(=O)NC2=CC=C(C=C2)N3C=NN=N3)C4=CC(=CC=C4)C(=O)N

DOS

IR

Vibrations