Geometry & MOs

Info

ID:	310759
PubChem CID:	126587271
Reduced:	SN3O6C28H49 (1)
Stoich.:	AB3C6D28E49 (1)
Weight, g/mol:	496.435242
ΔH_f, kcal/mol:	-315.77
Dipole, Da:	1.79
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[6-oxo-6-[[3-oxo-8-(propan-2-ylamino)octan-4-yl]amino]-5-(propan-2-ylamino)hexyl]heptanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)CCC(C(=O)C(C)C)NC(=O)CCC(C(=O)C(C)C)NC(=O)CCC(C(=O)C(C)C)NSC

DOS

IR

Vibrations