Geometry & MOs

Info

ID:	49468
PubChem CID:	11533062
Reduced:	FO2N6C26H31 (1)
Stoich.:	AB2C6D26E31 (1)
Weight, g/mol:	478.211073
ΔH_f, kcal/mol:	-35.82
Dipole, Da:	5.21
IP(EA), eV:	-8.18(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[6-[(E)-N'-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioylamino)carbamimidoyl]pyrazin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCO[C@H](C2)C3=CC=C(C=C3)N4CC[C@H](C4)N(C)C)C5=C(C=NC=C5)F

DOS

IR

Vibrations