Geometry & MOs

Info

ID:	444031
PubChem CID:	135261074
Reduced:	SN3O5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	324.148535
ΔH_f, kcal/mol:	-105.15
Dipole, Da:	7.39
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(cyclohexylamino)-3-(3-fluoro-4-hydroxyphenyl)-1-oxopropan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC3=C(C=CN=C32)OC4=CC=C(C=C4)CC(C(=O)OC)N(C)C

DOS

IR

Vibrations