Geometry & MOs

Info

ID:	193590
PubChem CID:	78409792
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	96.5
Dipole, Da:	3.59
IP(EA), eV:	-7.21(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(furan-2-yl)-3-oxopent-4-enyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC=C1CN2CCC1C(=C)C3=C(C2)C=C4C=CNC4=C3

DOS

IR

Vibrations