Geometry & MOs

Info

ID:	59992
PubChem CID:	26527446
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	469.147156
ΔH_f, kcal/mol:	-78.68
Dipole, Da:	2.98
IP(EA), eV:	-9.15(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations