Geometry & MOs

Info

ID:	63245
PubChem CID:	26750331
Reduced:	N2S2O5C24H32 (1)
Stoich.:	A2B2C5D24E32 (1)
Weight, g/mol:	433.05249
ΔH_f, kcal/mol:	-183.64
Dipole, Da:	9.46
IP(EA), eV:	-9.34(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations