Geometry & MOs

Info

ID:	30541
PubChem CID:	841470
Reduced:	ON2C21H22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	4.83
Dipole, Da:	3.9
IP(EA), eV:	-9.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(cyclobutanecarbonylamino)-4-phenylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC=CC=C3)C

DOS

IR

Vibrations