Geometry & MOs

Info

ID:	152521
PubChem CID:	56311468
Reduced:	N5O5C21H27 (1)
Stoich.:	A5B5C21D27 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-184.13
Dipole, Da:	7.31
IP(EA), eV:	-8.3(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(N-ethyl-2-methylanilino)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)C2=C(N(C(=O)N(C2=O)C)C)N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations