Geometry & MOs

Info

ID:	244526
PubChem CID:	99360844
Reduced:	S2N5O5C19H27 (1)
Stoich.:	A2B5C5D19E27 (1)
Weight, g/mol:	453.184604
ΔH_f, kcal/mol:	-161.14
Dipole, Da:	9.98
IP(EA), eV:	-9.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations