Geometry & MOs

Info

ID:	214252
PubChem CID:	84974789
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	392.104208
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	4.61
IP(EA), eV:	-8.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations