Geometry & MOs

Info

ID:	444532
PubChem CID:	135262751
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	476.289974
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	5.01
IP(EA), eV:	-9.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-4-[2-methyl-6-[5-methyl-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]pyrimidin-4-yl]morpholine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCO)CC2(CO2)C

DOS

IR

Vibrations