Geometry & MOs

Info

ID:	177935
PubChem CID:	76254171
Reduced:	N5O5C21H25 (1)
Stoich.:	A5B5C21D25 (1)
Weight, g/mol:	381.118084
ΔH_f, kcal/mol:	-213.15
Dipole, Da:	3.51
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxybutyl)-2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-10-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)NC(=O)CCN3C4CCCCC4C(=O)NC3=O

DOS

IR

Vibrations