Geometry & MOs

Info

ID:	131102
PubChem CID:	51156226
Reduced:	SO3N4C16H24 (1)
Stoich.:	AB3C4D16E24 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	7.36
IP(EA), eV:	-9.29(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoate

Drug info:

PubChemData

Smile

CCNC(=O)CCC1=NC2=C(N1CC)C=CC(=C2)S(=O)(=O)N(C)C

DOS

IR

Vibrations