Geometry & MOs

Info

ID:	138871
PubChem CID:	52437474
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	432.201754
ΔH_f, kcal/mol:	-194.38
Dipole, Da:	5.19
IP(EA), eV:	-9.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[4-[[2-[[(4R)-2,6-diethyl-1,4-dihydrothieno[2,3-d]pyrimidin-3-ium-4-yl]sulfanyl]acetyl]amino]phenyl]-diethylazanium

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCC(CC1)C(=O)N)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O

DOS

IR

Vibrations