Geometry & MOs

Info

ID:	83265
PubChem CID:	49857371
Reduced:	O2S2N5C21H23 (1)
Stoich.:	A2B2C5D21E23 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	28.71
Dipole, Da:	6.59
IP(EA), eV:	-8.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CSC(=N2)N=C(N)N)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations