Geometry & MOs

Info

ID:	83423
PubChem CID:	49857574
Reduced:	O4N5C22H27 (1)
Stoich.:	A4B5C22D27 (1)
Weight, g/mol:	491.264488
ΔH_f, kcal/mol:	-53.16
Dipole, Da:	1.97
IP(EA), eV:	-9.14(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-[(7S)-7-(2-imidazol-1-ylethyl)-7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-5H-furo[3,4-d]pyrimidin-2-yl]phenyl]urea

Drug info:

PubChemData

Smile

C[C@H]1COCCN1C2=NC(=NC3=C2CO[C@@]3(C)CCOC)C4=CC5=C(C=C4)C(=NO5)N

DOS

IR

Vibrations