Geometry & MOs

Info

ID:	244507
PubChem CID:	99355947
Reduced:	FOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	16.36
Dipole, Da:	5.63
IP(EA), eV:	-8.43(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-oxo-3-[[3-oxo-3-(pyridin-4-ylamino)propyl]amino]-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NNC(=S)N2CC(=O)N(C3CC3)[C@@H](C)C4=CC=CC=C4F

DOS

IR

Vibrations