Geometry & MOs

Info

ID:	178681
PubChem CID:	76368671
Reduced:	O6N8C25H30 (1)
Stoich.:	A6B8C25D30 (1)
Weight, g/mol:	395.176644
ΔH_f, kcal/mol:	-178.64
Dipole, Da:	2.81
IP(EA), eV:	-9.44(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-(methanesulfonamido)-5,7,7-trimethyl-8-phenylmethoxyoct-3-ynoate

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CCC2=CC=CC=C2)NC(=O)C3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)C(=O)N

DOS

IR

Vibrations