Geometry & MOs

Info

ID:	440836
PubChem CID:	135231771
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	3.84
IP(EA), eV:	-7.87(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-amino-1-methyl-4-[2-(5-propanoyl-1H-indol-3-yl)ethyl]-4,5-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC(=C(N2)C)/C=C\C(=C)[C@@]3(CS(=O)(=O)C(C(=N3)N)(C)C)C)C=C1

DOS

IR

Vibrations