Geometry & MOs

Info

ID:	37357
PubChem CID:	8020097
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	387.114044
ΔH_f, kcal/mol:	-237.63
Dipole, Da:	4.36
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[(1S,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]-5-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=C(S1)NC(=O)COC(=O)C2CCCC2)C(=O)OCC)C

DOS

IR

Vibrations