Geometry & MOs

Info

ID:	159452
PubChem CID:	57280218
Reduced:	ClFSO3N5C28H29 (1)
Stoich.:	ABCD3E5F28G29 (1)
Weight, g/mol:	168.151415
ΔH_f, kcal/mol:	-106.6
Dipole, Da:	6.31
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4,6,6-tetramethylcyclohex-3-en-1-yl)methanol

Drug info:

PubChemData

Smile

CC(=O)N(C1CCCCCN1)C2=C(C=C(C=C2)NC(=O)N(C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)S)Cl

DOS

IR

Vibrations