Geometry & MOs

Info

ID:	416789
PubChem CID:	135090427
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	568.300933
ΔH_f, kcal/mol:	-97.88
Dipole, Da:	4.97
IP(EA), eV:	-9.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C(C)NC(=O)CCNC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations