Geometry & MOs

Info

ID:	214247
PubChem CID:	84974780
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-133.42
Dipole, Da:	10.17
IP(EA), eV:	-8.69(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-(1,3-benzoxazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)OC

DOS

IR

Vibrations