Geometry & MOs

Info

ID:	190410
PubChem CID:	78000549
Reduced:	SN3O6C22H33 (1)
Stoich.:	AB3C6D22E33 (1)
Weight, g/mol:	628.529142
ΔH_f, kcal/mol:	-212.32
Dipole, Da:	6.27
IP(EA), eV:	-9.16(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[11-[[4-(dimethylamino)phenyl]methylamino]-11-oxoundecyl]amino]-4-methyl-1-oxopentan-2-yl]dodecanamide

Drug info:

PubChemData

Smile

CC1(OC(CC(O1)CS(=O)(=O)C(=NC)N(C2=CC=CC=C2)N=C)CC(=O)OC(C)(C)C)C

DOS

IR

Vibrations