Geometry & MOs

Info

ID:	140290
PubChem CID:	52677387
Reduced:	ClNSF2O2C18H19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	433.179718
ΔH_f, kcal/mol:	-94.47
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133572
Charge, e:	1

Chem-info

IUPAC name:

[2-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]amino]-2-oxoethyl]-methyl-[[(2R)-oxolan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C1CC1[NH+](CCS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations