Geometry & MOs

Info

ID:	135980
PubChem CID:	51962962
Reduced:	ClO2N3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	406.123681
ΔH_f, kcal/mol:	-27.3
Dipole, Da:	5.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.073887
Charge, e:	-1

Chem-info

IUPAC name:

(4-carbamoylphenyl)sulfonyl-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]azanide

Drug info:

PubChemData

Smile

C[NH+](C)[C@@H](CNC(=O)C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2Cl)C3CC3

DOS

IR

Vibrations