Geometry & MOs

Info

ID:	245666
PubChem CID:	99494611
Reduced:	NOH5C6 (4)
Stoich.:	ABC5D6 (4)
Weight, g/mol:	383.130363
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	4.39
IP(EA), eV:	-8.79(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[(3,4,6-trimethylthieno[2,3-b]pyridine-2-carbonyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NC=C(C=C2)CNC(=O)C3=NN(C(=O)C=C3)C4=CC=CC=C4

DOS

IR

Vibrations