Geometry & MOs

Info

ID:	87740
PubChem CID:	49896930
Reduced:	SN5O7C26H29 (1)
Stoich.:	AB5C7D26E29 (1)
Weight, g/mol:	462.055543
ΔH_f, kcal/mol:	-149.11
Dipole, Da:	7.24
IP(EA), eV:	-8.82(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] methanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C)/C=C\4/C(=O)N(C(=O)S4)CC(=O)N5CCOCC5

DOS

IR

Vibrations