Geometry & MOs

Info

ID:	224833
PubChem CID:	85434548
Reduced:	O4N7C30H41 (1)
Stoich.:	A4B7C30D41 (1)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	6.89
IP(EA), eV:	-8.83(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-6-methyl-5-phenyl-1,3-diazinane-2-thione

Drug info:

PubChemData

Smile

CC(=CCN1C2C(N=C1N3CCCC(C3)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4NC(=O)C5CCCC5)C)C

DOS

IR

Vibrations