Geometry & MOs

Info

ID:	334502
PubChem CID:	127253177
Reduced:	NSO2H13C18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	472.166808
ΔH_f, kcal/mol:	-6.36
Dipole, Da:	3.24
IP(EA), eV:	-8.85(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCS

DOS

IR

Vibrations