Geometry & MOs

Info

ID:	236332
PubChem CID:	92712362
Reduced:	ClO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-55.07
Dipole, Da:	3.64
IP(EA), eV:	-9.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(3-methoxyphenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NCC1=CC=CC=C1Cl)N2C(=NC3=C(C2=O)C(=NO3)C)C

DOS

IR

Vibrations