Geometry & MOs

Info

ID:	159350
PubChem CID:	57269657
Reduced:	N3S3O5C25H35 (1)
Stoich.:	A3B3C5D25E35 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-177.95
Dipole, Da:	6.32
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxypyrazin-2-yl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC(C=C(C)N(CCOC(=O)C(C)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C)C(=O)C)C(S)S

DOS

IR

Vibrations