Geometry & MOs

Info

ID:	236326
PubChem CID:	92712348
Reduced:	SO3N4C15H16 (1)
Stoich.:	AB3C4D15E16 (1)
Weight, g/mol:	356.148455
ΔH_f, kcal/mol:	-28.84
Dipole, Da:	5.62
IP(EA), eV:	-9.43(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(3-methoxyphenyl)methyl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NCC1=CC=CS1)N2C=NC3=C(C2=O)C(=NO3)C

DOS

IR

Vibrations