Geometry & MOs

Info

ID:	335197
PubChem CID:	127254058
Reduced:	N3O6H21C28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	510.236601
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	7.4
IP(EA), eV:	-7.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5C6=CC=CC=C6NC(=O)C5=O)OC

DOS

IR

Vibrations