Geometry & MOs

Info

ID:	447006
PubChem CID:	135279495
Reduced:	FSN3O6C27H36 (1)
Stoich.:	ABC3D6E27F36 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-220.21
Dipole, Da:	8.98
IP(EA), eV:	-6.77(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-2-(methylamino)-3-[4-[(E)-1-[2-(methylideneamino)-1H-pyrrol-3-yl]prop-1-enoxy]phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2=C3C(=CN(C3=NC=C2)COCCS(C)(C)C)F)C(=O)O

DOS

IR

Vibrations