Geometry & MOs

Info

ID:	308589
PubChem CID:	126497098
Reduced:	N3O5H23C25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	393.189986
ΔH_f, kcal/mol:	-56.7
Dipole, Da:	3.88
IP(EA), eV:	-8.7(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-[3,5-bis(hydroxymethyl)anilino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-6-oxohexanamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N3[C@@H](CC4=CC=CC=C43)CN2)OCC5=CC(=CC(=C5)CO)N=O

DOS

IR

Vibrations