Geometry & MOs

Info

ID:	135388
PubChem CID:	51865187
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	473.189689
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	2.49
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(7-tert-butyl-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl)sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](C)NC(=O)/C=C/C3=CC=C(C=C3)OC

DOS

IR

Vibrations